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Pyrrolopyrimidines

Organic heterocyclic compounds that consist of a pyrrole ring fused with a pyrimidine ring.
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1 – 14 of 14 results
1

1,5-Diazabicyclo[4.3.0]non-5-ene, 98%

CAS: 3001-72-7 Molecular Formula: C7H12N2 Molecular Weight (g/mol): 124.19 MDL Number: MFCD00005554 InChI Key: SGUVLZREKBPKCE-UHFFFAOYSA-N Synonym: 1,5-diazabicyclo 4.3.0 non-5-ene,2,3,4,6,7,8-hexahydropyrrolo 1,2-a pyrimidine,unii-978m4ol12q,2h,3h,4h,6h,7h,8h-pyrrolo 1,2-a pyrimidine,pyrrolo 1,2-a pyrimidine, 2,3,4,6,7,8-hexahydro,1,5-diazabicyclo 4,3,0 non-5-ene,1,5-diazabicyclo 4.3.0-5-nonene,1,5-diazabicyclo-4.3.0 non-5-ene PubChem CID: 76349 IUPAC Name: 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine SMILES: C1CN2CCCN=C2C1

PubChem CID 76349
CAS 3001-72-7
Molecular Weight (g/mol) 124.19
MDL Number MFCD00005554
SMILES C1CN2CCCN=C2C1
Synonym 1,5-diazabicyclo 4.3.0 non-5-ene,2,3,4,6,7,8-hexahydropyrrolo 1,2-a pyrimidine,unii-978m4ol12q,2h,3h,4h,6h,7h,8h-pyrrolo 1,2-a pyrimidine,pyrrolo 1,2-a pyrimidine, 2,3,4,6,7,8-hexahydro,1,5-diazabicyclo 4,3,0 non-5-ene,1,5-diazabicyclo 4.3.0-5-nonene,1,5-diazabicyclo-4.3.0 non-5-ene
IUPAC Name 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
InChI Key SGUVLZREKBPKCE-UHFFFAOYSA-N
Molecular Formula C7H12N2
2
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1,5-Diazabicyclo[4.3.0]non-5-ene, 98%

CAS: 3001-72-7 Molecular Formula: C7H12N2 Molecular Weight (g/mol): 124.19 MDL Number: MFCD00005554 InChI Key: SGUVLZREKBPKCE-UHFFFAOYSA-N Synonym: 1,5-diazabicyclo 4.3.0 non-5-ene,2,3,4,6,7,8-hexahydropyrrolo 1,2-a pyrimidine,unii-978m4ol12q,2h,3h,4h,6h,7h,8h-pyrrolo 1,2-a pyrimidine,pyrrolo 1,2-a pyrimidine, 2,3,4,6,7,8-hexahydro,1,5-diazabicyclo 4,3,0 non-5-ene,1,5-diazabicyclo 4.3.0-5-nonene,1,5-diazabicyclo-4.3.0 non-5-ene PubChem CID: 76349 IUPAC Name: 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine SMILES: C1CN2CCCN=C2C1

PubChem CID 76349
CAS 3001-72-7
Molecular Weight (g/mol) 124.19
MDL Number MFCD00005554
SMILES C1CN2CCCN=C2C1
Synonym 1,5-diazabicyclo 4.3.0 non-5-ene,2,3,4,6,7,8-hexahydropyrrolo 1,2-a pyrimidine,unii-978m4ol12q,2h,3h,4h,6h,7h,8h-pyrrolo 1,2-a pyrimidine,pyrrolo 1,2-a pyrimidine, 2,3,4,6,7,8-hexahydro,1,5-diazabicyclo 4,3,0 non-5-ene,1,5-diazabicyclo 4.3.0-5-nonene,1,5-diazabicyclo-4.3.0 non-5-ene
IUPAC Name 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
InChI Key SGUVLZREKBPKCE-UHFFFAOYSA-N
Molecular Formula C7H12N2
4

CJ-023423 Hydrochloride Salt, Hydrate, TRC

Molecular Formula: C26H29N5O3S• x(HCl), y(H2O) Molecular Weight (g/mol): 491.6136461802 IUPAC Name: 1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea SMILES: O=S(C1=CC=C(C)C=C1)(NC(NCCC2=CC=C(N3C(CC)=NC4=C3C=C(C)N=C4C)C=C2)=O)=O

Molecular Weight (g/mol) 491.6136461802
SMILES O=S(C1=CC=C(C)C=C1)(NC(NCCC2=CC=C(N3C(CC)=NC4=C3C=C(C)N=C4C)C=C2)=O)=O
IUPAC Name 1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
Molecular Formula C26H29N5O3S• x(HCl), y(H2O)
5

Oclacitinib, TRC

CAS: 1208319-26-9 Molecular Formula: C15H23N5O2S Molecular Weight (g/mol): 337.44 Synonym: trans-N-Methyl-4-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclohexanemethanesulfonamide,JAKi,PF 03394197 IUPAC Name: N-methyl-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]methanesulfonamide SMILES: CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)C2=NC=NC3=C2C=CN3

CAS 1208319-26-9
Molecular Weight (g/mol) 337.44
SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)C2=NC=NC3=C2C=CN3
Synonym trans-N-Methyl-4-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclohexanemethanesulfonamide,JAKi,PF 03394197
IUPAC Name N-methyl-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]methanesulfonamide
Molecular Formula C15H23N5O2S
6

Tofacitinib impurity N, TRC

CAS: 1260614-73-0 Molecular Formula: C13H19N5 Molecular Weight (g/mol): 245.32 Synonym: N-Methyl-N-((3S,4S)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine SMILES: C[C@H]1CCNC[C@H]1N(C)c2ncnc3[nH]ccc23

CAS 1260614-73-0
Molecular Weight (g/mol) 245.32
SMILES C[C@H]1CCNC[C@H]1N(C)c2ncnc3[nH]ccc23
Synonym N-Methyl-N-((3S,4S)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
IUPAC Name N-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Molecular Formula C13H19N5
7

5,6-Dihydro Tofacitinib, TRC

CAS: 1640972-35-5 Molecular Formula: C16H22N6O Molecular Weight (g/mol): 314.39 Synonym: 5,6-Dihydro CP-690550,3-((3R,4R)-3-((6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile SMILES: O=C(CC#N)N(C1)CC[C@@H](C)[C@H]1N(C)C2=C3C(NCC3)=NC=N2

CAS 1640972-35-5
Molecular Weight (g/mol) 314.39
SMILES O=C(CC#N)N(C1)CC[C@@H](C)[C@H]1N(C)C2=C3C(NCC3)=NC=N2
Synonym 5,6-Dihydro CP-690550,3-((3R,4R)-3-((6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile
Molecular Formula C16H22N6O
8

6-Chloro-7-deazapurine, TRC

CAS: 3680-69-1 Molecular Formula: C6 H4 Cl N3 Molecular Weight (g/mol): 153.57 Synonym: 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro- (6CI, 8CI, ACI),1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro- (7CI, 9CI),4-Chloro-7H-pyrrolo[2,3-d]pyrimidine (ACI),4-Chloro-1H-pyrrolo[2,3-d]pyrimidine,4-Chloro-7H-pyrrolo[2,3-d]pyrimidin,4-Chloropyrrolo[2,3-d]pyrimidine,6-Chloro-7-deazapurine,NSC 64952 IUPAC Name: 4-chloro-7H-pyrrolo[2,3-d]pyrimidine SMILES: Clc1ncnc2[nH]ccc12

CAS 3680-69-1
Molecular Weight (g/mol) 153.57
SMILES Clc1ncnc2[nH]ccc12
Synonym 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro- (6CI, 8CI, ACI),1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro- (7CI, 9CI),4-Chloro-7H-pyrrolo[2,3-d]pyrimidine (ACI),4-Chloro-1H-pyrrolo[2,3-d]pyrimidine,4-Chloro-7H-pyrrolo[2,3-d]pyrimidin,4-Chloropyrrolo[2,3-d]pyrimidine,6-Chloro-7-deazapurine,NSC 64952
IUPAC Name 4-chloro-7H-pyrrolo[2,3-d]pyrimidine
Molecular Formula C6 H4 Cl N3
9

Baricitinib, TRC

CAS: 1187594-09-7 Molecular Formula: C16 H17 N7 O2 S Molecular Weight (g/mol): 371.42 IUPAC Name: 2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile SMILES: CCS(=O)(=O)N1CC(CC#N)(C1)n2cc(cn2)c3ncnc4[nH]ccc34

CAS 1187594-09-7
Molecular Weight (g/mol) 371.42
SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n2cc(cn2)c3ncnc4[nH]ccc34
IUPAC Name 2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
Molecular Formula C16 H17 N7 O2 S
10

Oclacitinib Maleate, TRC

CAS: 1640292-55-2 Molecular Formula: C19H27N5O6S Molecular Weight (g/mol): 453.51 SMILES: CNS(=O)(=O)C[C@@H]1CC[C@H](CC1)N(C)c2ncnc3[nH]ccc23.OC(=O)\C=C/C(=O)O

CAS 1640292-55-2
Molecular Weight (g/mol) 453.51
SMILES CNS(=O)(=O)C[C@@H]1CC[C@H](CC1)N(C)c2ncnc3[nH]ccc23.OC(=O)\C=C/C(=O)O
Molecular Formula C19H27N5O6S
11

9-Deazaguanine, TRC

CAS: 65996-58-9 Molecular Formula: C6 H6 N4 O Molecular Weight (g/mol): 150.14 IUPAC Name: 2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one SMILES: NC1=Nc2cc[nH]c2C(=O)N1

CAS 65996-58-9
Molecular Weight (g/mol) 150.14
SMILES NC1=Nc2cc[nH]c2C(=O)N1
IUPAC Name 2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
Molecular Formula C6 H6 N4 O
12

2-Chloro-6-methoxy-7-deazapurine, TRC

CAS: 96022-77-4 Molecular Formula: C7 H6 Cl N3 O Molecular Weight (g/mol): 183.6 IUPAC Name: 2-chloro-4-methoxy-3H-pyrrolo[2,3-d]pyrimidine SMILES: COc1[nH]c(Cl)nc2nccc12

CAS 96022-77-4
Molecular Weight (g/mol) 183.6
SMILES COc1[nH]c(Cl)nc2nccc12
IUPAC Name 2-chloro-4-methoxy-3H-pyrrolo[2,3-d]pyrimidine
Molecular Formula C7 H6 Cl N3 O
13

N-Methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, TRC

CAS: 477600-74-1 Molecular Formula: C13H19N5 Molecular Weight (g/mol): 245.32 Synonym: (3R,4R)-Methyl{(4-methylpiperidin-3-yl)(7H-pyrrolo[2,3-d]pyrimidin-4-yl)}amine,N-Methyl-N-[(3R,4R)-4-methyl-3-piperidinyl]-1H-Pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine SMILES: C[C@H]1[C@@H](N(C)C2=C(C=CN3)C3=NC=N2)CNCC1

CAS 477600-74-1
Molecular Weight (g/mol) 245.32
SMILES C[C@H]1[C@@H](N(C)C2=C(C=CN3)C3=NC=N2)CNCC1
Synonym (3R,4R)-Methyl{(4-methylpiperidin-3-yl)(7H-pyrrolo[2,3-d]pyrimidin-4-yl)}amine,N-Methyl-N-[(3R,4R)-4-methyl-3-piperidinyl]-1H-Pyrrolo[2,3-d]pyrimidin-4-amine
IUPAC Name N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Molecular Formula C13H19N5
14

6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine dihydrochloride, 95%, Thermo Scientific™

CAS: 157327-51-0 Molecular Formula: C6H7N3·2ClH Molecular Weight (g/mol): 194.06 InChI Key: VGQSNQPVXPPLEH-UHFFFAOYSA-N Synonym: 6,7-dihydro-5h-pyrrolo 3,4-d pyrimidine dihydrochloride,5h,6h,7h-pyrrolo 3,4-d pyrimidine dihydrochloride,6,7-dihydro-5h-pyrrolo 3,4-d pyrimidine 2hcl,6,7-dihydro-5h-pyrrolo-3,4-d-pyrimidine dihydrochloride,4-d pyrimidine hydrochloride,6,7-dihydro-5h-pyrrolo 3,4-d pyrimidinedihydrochloride,6,7-dihydro-5h-pyrrolo 3,4-d pyrimidine dihydrochl,5h-pyrrolo 3,4-d pyrimidine,6,7-dihydro-, hydrochloride,5h-pyrrolo 3,4-d pyrimidine,6,7-dihydro-,dihydrochloride,5h-pyrrolo 3,4-d pyrimidine, 6,7-dihydro-, hydrochloride 1:2 PubChem CID: 44182365 IUPAC Name: 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrochloride SMILES: C1C2=CN=CN=C2CN1.Cl.Cl

PubChem CID 44182365
CAS 157327-51-0
Molecular Weight (g/mol) 194.06
SMILES C1C2=CN=CN=C2CN1.Cl.Cl
Synonym 6,7-dihydro-5h-pyrrolo 3,4-d pyrimidine dihydrochloride,5h,6h,7h-pyrrolo 3,4-d pyrimidine dihydrochloride,6,7-dihydro-5h-pyrrolo 3,4-d pyrimidine 2hcl,6,7-dihydro-5h-pyrrolo-3,4-d-pyrimidine dihydrochloride,4-d pyrimidine hydrochloride,6,7-dihydro-5h-pyrrolo 3,4-d pyrimidinedihydrochloride,6,7-dihydro-5h-pyrrolo 3,4-d pyrimidine dihydrochl,5h-pyrrolo 3,4-d pyrimidine,6,7-dihydro-, hydrochloride,5h-pyrrolo 3,4-d pyrimidine,6,7-dihydro-,dihydrochloride,5h-pyrrolo 3,4-d pyrimidine, 6,7-dihydro-, hydrochloride 1:2
IUPAC Name 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrochloride
InChI Key VGQSNQPVXPPLEH-UHFFFAOYSA-N
Molecular Formula C6H7N3·2ClH