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Pyrimidines And Derivatives

Aromatic organic compounds that consist of an aromatic six-membered ring containing two non-adjacent nitrogen atoms and four carbon atoms; includes compounds derived from pyrimidines.
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Molecular Weight (g/mol)

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Grade

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Keyword Search:
1 – 15 of 88 results
1

5-Fluorocytosine, 99+%

CAS: 2022-85-7 Molecular Formula: C4H4FN3O Molecular Weight (g/mol): 129.09 MDL Number: MFCD00006035,MFCD00179326,MFCD03547958 InChI Key: XRECTZIEBJDKEO-UHFFFAOYSA-N Synonym: 5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine PubChem CID: 3366 ChEBI: CHEBI:5100 IUPAC Name: 6-amino-5-fluoro-1H-pyrimidin-2-one SMILES: NC1=C(F)C=NC(=O)N1

EDGE
PubChem CID 3366
CAS 2022-85-7
Molecular Weight (g/mol) 129.09
ChEBI CHEBI:5100
MDL Number MFCD00006035,MFCD00179326,MFCD03547958
SMILES NC1=C(F)C=NC(=O)N1
Synonym 5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine
IUPAC Name 6-amino-5-fluoro-1H-pyrimidin-2-one
InChI Key XRECTZIEBJDKEO-UHFFFAOYSA-N
Molecular Formula C4H4FN3O
2

Guanine, 99+%

CAS: 73-40-5 Molecular Formula: C5H5N5O Molecular Weight (g/mol): 151.13 MDL Number: MFCD00071533 InChI Key: UYTPUPDQBNUYGX-UHFFFAOYSA-N Synonym: guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence PubChem CID: 764 ChEBI: CHEBI:16235 IUPAC Name: 2-amino-3,7-dihydropurin-6-one SMILES: NC1=NC(=O)C2=C(N1)N=CN2

EDGE
PubChem CID 764
CAS 73-40-5
Molecular Weight (g/mol) 151.13
ChEBI CHEBI:16235
MDL Number MFCD00071533
SMILES NC1=NC(=O)C2=C(N1)N=CN2
Synonym guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence
IUPAC Name 2-amino-3,7-dihydropurin-6-one
InChI Key UYTPUPDQBNUYGX-UHFFFAOYSA-N
Molecular Formula C5H5N5O
3

Thymine, 99%

CAS: 65-71-4 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00006026 InChI Key: RWQNBRDOKXIBIV-UHFFFAOYSA-N Synonym: thymine,5-methyluracil,thymin,2,4-dihydroxy-5-methylpyrimidine,thymine anhydrate,2,4 1h,3h-pyrimidinedione, 5-methyl,5-methylpyrimidine-2,4 1h,3h-dione,5-methyl-2,4 1h,3h-pyrimidinedione,thymin purine base,5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 1135 ChEBI: CHEBI:17821 IUPAC Name: 5-methyl-1H-pyrimidine-2,4-dione SMILES: CC1=CNC(=O)NC1=O

EDGE
PubChem CID 1135
CAS 65-71-4
Molecular Weight (g/mol) 126.11
ChEBI CHEBI:17821
MDL Number MFCD00006026
SMILES CC1=CNC(=O)NC1=O
Synonym thymine,5-methyluracil,thymin,2,4-dihydroxy-5-methylpyrimidine,thymine anhydrate,2,4 1h,3h-pyrimidinedione, 5-methyl,5-methylpyrimidine-2,4 1h,3h-dione,5-methyl-2,4 1h,3h-pyrimidinedione,thymin purine base,5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC Name 5-methyl-1H-pyrimidine-2,4-dione
InChI Key RWQNBRDOKXIBIV-UHFFFAOYSA-N
Molecular Formula C5H6N2O2
4

Thermo Scientific Chemicals Uracil, 99+%

CAS: 66-22-8 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00006016 InChI Key: ISAKRJDGNUQOIC-UHFFFAOYSA-N Synonym: uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x PubChem CID: 1174 ChEBI: CHEBI:17568 IUPAC Name: 1H-pyrimidine-2,4-dione SMILES: O=C1NC=CC(=O)N1

PubChem CID 1174
CAS 66-22-8
Molecular Weight (g/mol) 112.09
ChEBI CHEBI:17568
MDL Number MFCD00006016
SMILES O=C1NC=CC(=O)N1
Synonym uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x
IUPAC Name 1H-pyrimidine-2,4-dione
InChI Key ISAKRJDGNUQOIC-UHFFFAOYSA-N
Molecular Formula C4H4N2O2
5

2-Mercaptopyrimidine, 98%

CAS: 1450-85-7 Molecular Formula: C4H4N2S Molecular Weight (g/mol): 112.15 MDL Number: MFCD00006073 InChI Key: HBCQSNAFLVXVAY-UHFFFAOYSA-N Synonym: 2-mercaptopyrimidine,pyrimidine-2-thiol,2-pyrimidinethiol,2-thiopyrimidine,pyrimidine-2 1h-thione,2 1h-pyrimidinethione,pyrimidinethione,2-pyrimidinethione,2-pyrimidinethiol 9ci,2-1h-pyrimidinthione PubChem CID: 1550489 ChEBI: CHEBI:53576 IUPAC Name: 1H-pyrimidine-2-thione SMILES: C1=CNC(=S)N=C1

PubChem CID 1550489
CAS 1450-85-7
Molecular Weight (g/mol) 112.15
ChEBI CHEBI:53576
MDL Number MFCD00006073
SMILES C1=CNC(=S)N=C1
Synonym 2-mercaptopyrimidine,pyrimidine-2-thiol,2-pyrimidinethiol,2-thiopyrimidine,pyrimidine-2 1h-thione,2 1h-pyrimidinethione,pyrimidinethione,2-pyrimidinethione,2-pyrimidinethiol 9ci,2-1h-pyrimidinthione
IUPAC Name 1H-pyrimidine-2-thione
InChI Key HBCQSNAFLVXVAY-UHFFFAOYSA-N
Molecular Formula C4H4N2S
6

Thermo Scientific Chemicals 5-Bromouracil, 98%

CAS: 51-20-7 Molecular Formula: C4H3BrN2O2 Molecular Weight (g/mol): 190.98 MDL Number: MFCD00006017 InChI Key: LQLQRFGHAALLLE-UHFFFAOYSA-N Synonym: 5-bromouracil,bromouracil,uracil, 5-bromo,5-bromopyrimidine-2,4 1h,3h-dione,5-bromo-2,4 1h,3h-pyrimidinedione,5-bromo-2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione, 5-bromo,5-bromopyrimidine-2,4-diol,unii-4hk400g5uo,5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 5802 ChEBI: CHEBI:20552 IUPAC Name: 5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione SMILES: BrC1=CNC(=O)NC1=O

PubChem CID 5802
CAS 51-20-7
Molecular Weight (g/mol) 190.98
ChEBI CHEBI:20552
MDL Number MFCD00006017
SMILES BrC1=CNC(=O)NC1=O
Synonym 5-bromouracil,bromouracil,uracil, 5-bromo,5-bromopyrimidine-2,4 1h,3h-dione,5-bromo-2,4 1h,3h-pyrimidinedione,5-bromo-2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione, 5-bromo,5-bromopyrimidine-2,4-diol,unii-4hk400g5uo,5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC Name 5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione
InChI Key LQLQRFGHAALLLE-UHFFFAOYSA-N
Molecular Formula C4H3BrN2O2
7

Thermo Scientific Chemicals Thiamine hydrochloride, 98.5-101.5%

CAS: 67-03-8 Molecular Formula: C12H17ClN4OS·HCl Molecular Weight (g/mol): 337.26 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

PubChem CID 6202
CAS 67-03-8
Molecular Weight (g/mol) 337.26
ChEBI CHEBI:49105
MDL Number MFCD00012780
SMILES CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
Synonym thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride
IUPAC Name 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
InChI Key DPJRMOMPQZCRJU-UHFFFAOYSA-M
Molecular Formula C12H17ClN4OS·HCl
8

Thermo Scientific Chemicals 5-Fluorouracil, 99%

CAS: 51-21-8 Molecular Formula: C4H3FN2O2 Molecular Weight (g/mol): 130.08 MDL Number: MFCD00006018 InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N Synonym: 5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,kecimeton PubChem CID: 3385 ChEBI: CHEBI:46345 IUPAC Name: 5-fluoro-1H-pyrimidine-2,4-dione SMILES: FC1=CNC(=O)NC1=O

PubChem CID 3385
CAS 51-21-8
Molecular Weight (g/mol) 130.08
ChEBI CHEBI:46345
MDL Number MFCD00006018
SMILES FC1=CNC(=O)NC1=O
Synonym 5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,kecimeton
IUPAC Name 5-fluoro-1H-pyrimidine-2,4-dione
InChI Key GHASVSINZRGABV-UHFFFAOYSA-N
Molecular Formula C4H3FN2O2
9

Thermo Scientific Chemicals Imatinib mesylate, 98%

CAS: 220127-57-1 Molecular Formula: C30H35N7O4S Molecular Weight (g/mol): 589.72 MDL Number: MFCD04307699 InChI Key: YLMAHDNUQAMNNX-UHFFFAOYSA-N Synonym: imatinib mesylate,gleevec,glivec,imatinib mesilate,imatinib methanesulfonate,imatinib mesylate sti571,imatinib monomesylate,unii-8a1o1m485b,imatinib, methanesulfonate salt PubChem CID: 123596 ChEBI: CHEBI:31690 IUPAC Name: methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide SMILES: CS(O)(=O)=O.CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=C(C)C(NC3=NC=CC(=N3)C3=CC=CN=C3)=C2)CC1

PubChem CID 123596
CAS 220127-57-1
Molecular Weight (g/mol) 589.72
ChEBI CHEBI:31690
MDL Number MFCD04307699
SMILES CS(O)(=O)=O.CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=C(C)C(NC3=NC=CC(=N3)C3=CC=CN=C3)=C2)CC1
Synonym imatinib mesylate,gleevec,glivec,imatinib mesilate,imatinib methanesulfonate,imatinib mesylate sti571,imatinib monomesylate,unii-8a1o1m485b,imatinib, methanesulfonate salt
IUPAC Name methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
InChI Key YLMAHDNUQAMNNX-UHFFFAOYSA-N
Molecular Formula C30H35N7O4S
10

7-Chloropyrazolo[1,5-a]pyrimidine, 95%

CAS: 58347-49-2 Molecular Formula: C6H4ClN3 Molecular Weight (g/mol): 153.57 MDL Number: MFCD04035684 InChI Key: YCZQHXPIKQHABJ-UHFFFAOYSA-N Synonym: 7-chloropyrazolo 1,5-a pyrimidine,pyrazolo 1,5-a pyrimidine, 7-chloro,7-chloro-pyrazolo 1,5-a pyrimidine,zlchem 1087,7-chloropyrazolo 1?5-a pyrimidine,7-chloranylpyrazolo 1,5-a pyrimidine,7-chloro-8-hydropyrazolo 1,5-a pyrimidine PubChem CID: 12281647 IUPAC Name: 7-chloropyrazolo[1,5-a]pyrimidine SMILES: C1=C2N=CC=C(N2N=C1)Cl

PubChem CID 12281647
CAS 58347-49-2
Molecular Weight (g/mol) 153.57
MDL Number MFCD04035684
SMILES C1=C2N=CC=C(N2N=C1)Cl
Synonym 7-chloropyrazolo 1,5-a pyrimidine,pyrazolo 1,5-a pyrimidine, 7-chloro,7-chloro-pyrazolo 1,5-a pyrimidine,zlchem 1087,7-chloropyrazolo 1?5-a pyrimidine,7-chloranylpyrazolo 1,5-a pyrimidine,7-chloro-8-hydropyrazolo 1,5-a pyrimidine
IUPAC Name 7-chloropyrazolo[1,5-a]pyrimidine
InChI Key YCZQHXPIKQHABJ-UHFFFAOYSA-N
Molecular Formula C6H4ClN3
11

4-Chloro-2-methylthiopyrimidine, 97%

CAS: 49844-90-8 Molecular Formula: C5H5ClN2S Molecular Weight (g/mol): 160.62 MDL Number: MFCD00006083 InChI Key: DFOHHQRGDOQMKG-UHFFFAOYSA-N Synonym: 4-chloro-2-methylthio pyrimidine,4-chloro-2-methylthiopyrimidine,4-chloro-2-methylsulfanyl pyrimidine,4-chloro-2-methylsulfanyl-pyrimidine,pyrimidine, 4-chloro-2-methylthio,4-chloro-2-methylmercapto pyrimidine,zlchem 575,pubchem15403,pubchem15764,acmc-1asbn PubChem CID: 97113 IUPAC Name: 4-chloro-2-methylsulfanylpyrimidine SMILES: CSC1=NC=CC(Cl)=N1

PubChem CID 97113
CAS 49844-90-8
Molecular Weight (g/mol) 160.62
MDL Number MFCD00006083
SMILES CSC1=NC=CC(Cl)=N1
Synonym 4-chloro-2-methylthio pyrimidine,4-chloro-2-methylthiopyrimidine,4-chloro-2-methylsulfanyl pyrimidine,4-chloro-2-methylsulfanyl-pyrimidine,pyrimidine, 4-chloro-2-methylthio,4-chloro-2-methylmercapto pyrimidine,zlchem 575,pubchem15403,pubchem15764,acmc-1asbn
IUPAC Name 4-chloro-2-methylsulfanylpyrimidine
InChI Key DFOHHQRGDOQMKG-UHFFFAOYSA-N
Molecular Formula C5H5ClN2S
12

2-Aminopyrimidine, 98%

CAS: 109-12-6 Molecular Formula: C4H5N3 Molecular Weight (g/mol): 95.11 MDL Number: MFCD00006089 InChI Key: LJXQPZWIHJMPQQ-UHFFFAOYSA-N Synonym: 2-aminopyrimidine,2-pyrimidinamine,pyrimidin-2-ylamine,pyrimidinamine,aminopyrimidine,2-pyrimidiylamine,pyrimidine, 2-amino,2-pyridiylamine,1,2-dihydro-2-iminopyrimidine,pyrimidine, amino PubChem CID: 7978 ChEBI: CHEBI:38618 IUPAC Name: pyrimidin-2-amine SMILES: NC1=NC=CC=N1

PubChem CID 7978
CAS 109-12-6
Molecular Weight (g/mol) 95.11
ChEBI CHEBI:38618
MDL Number MFCD00006089
SMILES NC1=NC=CC=N1
Synonym 2-aminopyrimidine,2-pyrimidinamine,pyrimidin-2-ylamine,pyrimidinamine,aminopyrimidine,2-pyrimidiylamine,pyrimidine, 2-amino,2-pyridiylamine,1,2-dihydro-2-iminopyrimidine,pyrimidine, amino
IUPAC Name pyrimidin-2-amine
InChI Key LJXQPZWIHJMPQQ-UHFFFAOYSA-N
Molecular Formula C4H5N3
13

5-Bromo-2,4-dimethoxypyrimidine, 97%, Thermo Scientific™

CAS: 56686-16-9 InChI Key: QEZIMQMMEGPYTR-UHFFFAOYSA-N Synonym: 2,4-dimethoxy-5-bromopyrimidine,pyrimidine, 5-bromo-2,4-dimethoxy,5-bromo-2,4-dimethoxy-1,3-diazine,5-bromo-2,4-bis methyloxy pyrimidine,5-bromo-2,4-dimethoxy-pyrimidine,pubchem5281,acmc-209lu1,ksc495s0l,5-bromo-2,4-dimethoxypyrimidine,5-bromo-2,4-dimethoxypyrimidine; PubChem CID: 255719 IUPAC Name: 5-bromo-2,4-dimethoxypyrimidine SMILES: COC1=NC(=NC=C1Br)OC

PubChem CID 255719
CAS 56686-16-9
SMILES COC1=NC(=NC=C1Br)OC
Synonym 2,4-dimethoxy-5-bromopyrimidine,pyrimidine, 5-bromo-2,4-dimethoxy,5-bromo-2,4-dimethoxy-1,3-diazine,5-bromo-2,4-bis methyloxy pyrimidine,5-bromo-2,4-dimethoxy-pyrimidine,pubchem5281,acmc-209lu1,ksc495s0l,5-bromo-2,4-dimethoxypyrimidine,5-bromo-2,4-dimethoxypyrimidine;
IUPAC Name 5-bromo-2,4-dimethoxypyrimidine
InChI Key QEZIMQMMEGPYTR-UHFFFAOYSA-N
14

5,7-Dichloropyrazolo[1,5-a]pyrimidine, 95%, Thermo Scientific Chemicals

CAS: 57489-77-7 Molecular Formula: C6H3Cl2N3 Molecular Weight (g/mol): 188.02 InChI Key: JMTFWCYVZOFHLR-UHFFFAOYSA-N Synonym: 5,7-dichloropyrazolo 1,5-a pyrimidine,pyrazolo 1,5-a pyrimidine, 5,7-dichloro,5,7-dichloro-pyrazolo 1,5-a pyrimidine,pubchem14638,5,7-dichloropyrazolo 1,5-a pyri-midine,5, 7-dichloro-pyrazolo 1,5-a pyrimidine,5,7-bis chloranyl pyrazolo 1,5-a pyrimidine PubChem CID: 11074154 IUPAC Name: 5,7-dichloropyrazolo[1,5-a]pyrimidine SMILES: C1=C2N=C(C=C(N2N=C1)Cl)Cl

PubChem CID 11074154
CAS 57489-77-7
Molecular Weight (g/mol) 188.02
SMILES C1=C2N=C(C=C(N2N=C1)Cl)Cl
Synonym 5,7-dichloropyrazolo 1,5-a pyrimidine,pyrazolo 1,5-a pyrimidine, 5,7-dichloro,5,7-dichloro-pyrazolo 1,5-a pyrimidine,pubchem14638,5,7-dichloropyrazolo 1,5-a pyri-midine,5, 7-dichloro-pyrazolo 1,5-a pyrimidine,5,7-bis chloranyl pyrazolo 1,5-a pyrimidine
IUPAC Name 5,7-dichloropyrazolo[1,5-a]pyrimidine
InChI Key JMTFWCYVZOFHLR-UHFFFAOYSA-N
Molecular Formula C6H3Cl2N3
15

4-Aminopyrimidine, 98%

CAS: 591-54-8 Molecular Formula: C4H5N3 Molecular Weight (g/mol): 95.1 MDL Number: MFCD00006112 InChI Key: OYRRZWATULMEPF-UHFFFAOYSA-N Synonym: 4-aminopyrimidine,4-pyrimidinamine,4-pyrimidineamine,pyrimidin-4-ylamine,pyrimidine, 4-amino,6-aminopyrimidine,4-amino pyrimidine,pyrimidine-4-ylamine,pyrimidin-4-yl-amine,4-pyrimidinamine 9ci PubChem CID: 68958 ChEBI: CHEBI:38616 IUPAC Name: pyrimidin-4-amine SMILES: C1=CN=CN=C1N

PubChem CID 68958
CAS 591-54-8
Molecular Weight (g/mol) 95.1
ChEBI CHEBI:38616
MDL Number MFCD00006112
SMILES C1=CN=CN=C1N
Synonym 4-aminopyrimidine,4-pyrimidinamine,4-pyrimidineamine,pyrimidin-4-ylamine,pyrimidine, 4-amino,6-aminopyrimidine,4-amino pyrimidine,pyrimidine-4-ylamine,pyrimidin-4-yl-amine,4-pyrimidinamine 9ci
IUPAC Name pyrimidin-4-amine
InChI Key OYRRZWATULMEPF-UHFFFAOYSA-N
Molecular Formula C4H5N3