1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[4-[2-amino-6-(1H-indol-4-yl)pyrimidin-4-yl]butyl]pyrrolidin-2-one;1-[3-[[2-amino-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine

C98H114Cl2F3N23O4 — CID 159219019

IUPAC1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[4-[2-amino-6-(1H-indol-4-yl)pyrimidin-4-yl]butyl]pyrrolidin-2-one;1-[3-[[2-amino-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine
SMILESCc1ccc(C)c(-c2cc(NCCCN3CCCC3=O)nc(N)n2)c1.Cc1ccc(Cl)cc1-c1cc(NCCCN2CCCC2=O)nc(N)n1.Cc1cccc(-c2cc(CCC3(c4ccc(Cl)cc4)CC3)nc(N)n2)c1C.Nc1nc(CCCCN2CCCC2=O)cc(-c2cccc3[nH]ccc23)n1.Nc1nc(NCCCN2CCCC2=O)cc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C23H24ClN3.C20H23N5O.C19H25N5O.C18H22ClN5O.C18H20F3N5O/c1-15-4-3-5-20(16(15)2)21-14-19(26-22(25)27-21)10-11-23(12-13-23)17-6-8-18(24)9-7-17;21-20-23-14(5-1-2-11-25-12-4-8-19(25)26)13-18(24-20)15-6-3-7-17-16(15)9-10-22-17;1-13-6-7-14(2)15(11-13)16-12-17(23-19(20)22-16)21-8-4-10-24-9-3-5-18(24)25;1-12-5-6-13(19)10-14(12)15-11-16(23-18(20)22-15)21-7-3-9-24-8-2-4-17(24)25;19-18(20,21)13-6-2-1-5-12(13)14-11-15(25-17(22)24-14)23-8-4-10-26-9-3-7-16(26)27/h3-9,14H,10-13H2,1-2H3,(H2,25,26,27);3,6-7,9-10,13,22H,1-2,4-5,8,11-12H2,(H2,21,23,24);6-7,11-12H,3-5,8-10H2,1-2H3,(H3,20,21,22,23);5-6,10-11H,2-4,7-9H2,1H3,(H3,20,21,22,23);1-2,5-6,11H,3-4,7-10H2,(H3,22,23,24,25)
InChIKeyKRLDPCXCHBIEEX-UHFFFAOYSA-N
MW1806.05 g/mol
LogP17.86
Rot. Bonds29

About 1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[4-[2-amino-6-(1H-indol-4-yl)pyrimidin-4-yl]butyl]pyrrolidin-2-one;1-[3-[[2-amino-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine

1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[4-[2-amino-6-(1H-indol-4-yl)pyrimidin-4-yl]butyl]pyrrolidin-2-one;1-[3-[[2-amino-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine (PubChem CID 159219019) has the molecular formula C98H114Cl2F3N23O4 and a molecular weight of 1806.05 g/mol. Its IUPAC name is 1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[4-[2-amino-6-(1H-indol-4-yl)pyrimidin-4-yl]butyl]pyrrolidin-2-one;1-[3-[[2-amino-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[4-[2-amino-6-(1H-indol-4-yl)pyrimidin-4-yl]butyl]pyrrolidin-2-one;1-[3-[[2-amino-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine
PubChem CID159219019
Molecular FormulaC98H114Cl2F3N23O4
Molecular Weight1806.05 g/mol
Exact Mass1803.88
IUPAC Name1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[4-[2-amino-6-(1H-indol-4-yl)pyrimidin-4-yl]butyl]pyrrolidin-2-one;1-[3-[[2-amino-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine
SMILESCc1ccc(C)c(-c2cc(NCCCN3CCCC3=O)nc(N)n2)c1.Cc1ccc(Cl)cc1-c1cc(NCCCN2CCCC2=O)nc(N)n1.Cc1cccc(-c2cc(CCC3(c4ccc(Cl)cc4)CC3)nc(N)n2)c1C.Nc1nc(CCCCN2CCCC2=O)cc(-c2cccc3[nH]ccc23)n1.Nc1nc(NCCCN2CCCC2=O)cc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C23H24ClN3.C20H23N5O.C19H25N5O.C18H22ClN5O.C18H20F3N5O/c1-15-4-3-5-20(16(15)2)21-14-19(26-22(25)27-21)10-11-23(12-13-23)17-6-8-18(24)9-7-17;21-20-23-14(5-1-2-11-25-12-4-8-19(25)26)13-18(24-20)15-6-3-7-17-16(15)9-10-22-17;1-13-6-7-14(2)15(11-13)16-12-17(23-19(20)22-16)21-8-4-10-24-9-3-5-18(24)25;1-12-5-6-13(19)10-14(12)15-11-16(23-18(20)22-15)21-7-3-9-24-8-2-4-17(24)25;19-18(20,21)13-6-2-1-5-12(13)14-11-15(25-17(22)24-14)23-8-4-10-26-9-3-7-16(26)27/h3-9,14H,10-13H2,1-2H3,(H2,25,26,27);3,6-7,9-10,13,22H,1-2,4-5,8,11-12H2,(H2,21,23,24);6-7,11-12H,3-5,8-10H2,1-2H3,(H3,20,21,22,23);5-6,10-11H,2-4,7-9H2,1H3,(H3,20,21,22,23);1-2,5-6,11H,3-4,7-10H2,(H3,22,23,24,25)
InChIKeyKRLDPCXCHBIEEX-UHFFFAOYSA-N
XLogP17.86
TPSA392.12 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds29
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001806.05
LogP ≤ 517.86
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[4-[2-amino-6-(1H-indol-4-yl)pyrimidin-4-yl]butyl]pyrrolidin-2-one;1-[3-[[2-amino-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine with MolForge

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Related Compounds

(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)butanamide;N-ethyl-1-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclopropane-1-carboxamide;molecular hydrogen
CID 158305282
(2S)-2-(4-chlorophenyl)-1-[4-[5-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[5-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;3-[4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)-1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]propan-1-one
CID 160731428
2-[[(1S,3R)-3-acetylcyclohexyl]amino]-4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile;2-[[(1S,3R)-3-acetylcyclohexyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile;2-[[(1S,3R)-3-acetylcyclohexyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R,2S)-2-acetylcyclohexyl]methyl]-4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile;N-[(1R,3S)-3-[[5-cyano-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]cyclohexyl]-1-methylcyclopropane-1-carboxamide
CID 161060907
1-[3-[[2-(3-aminophenyl)-5H-cyclopenta[d]pyrimidin-4-yl]amino]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[3-[[2-(4-chlorophenyl)-5H-cyclopenta[d]pyrimidin-4-yl]amino]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;1-[4-methyl-3-[(2-phenyl-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 161733334
(Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-methylphenyl)prop-2-en-1-one;(5-chloro-1H-indol-2-yl)-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenyl)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-chloro-1H-indol-2-yl)-(1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl)methanone;[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 161765716
(2R)-2-[[2-(5-chloro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;(2R)-1-[2-(5-chloro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-indol-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(1S)-2-[2-(5-chloro-1H-indol-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide;molecular hydrogen
CID 161940109
(3R)-1-[4-[6-(4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-(4-methylphenyl)butan-1-one;1-[4-(5-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one;(3R)-3-(4-methylphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 162187067
2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)naphthalen-1-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen
CID 162214126
3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-ethyl-5-fluoro-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(7-ethyl-6-fluoro-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(6-fluoro-7-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 163908451
(3S)-N-[(2S)-3-(6-chloro-1H-indazol-5-yl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-N-[(2S)-3-(6-chloro-1H-indazol-5-yl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-N-[(2S)-3-(6-chloro-1H-indazol-5-yl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3R)-N-[(2S)-3-(6-chloro-1H-indazol-5-yl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3H-isoindol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3H-isoindol-5-yl)propyl]-3-pyridin-3-ylpropanamide
CID 167594355
(4E)-4-[[5-[(2-chloro-6-fluoro-3-methylphenyl)methylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-[(6-chloro-2-fluoro-3-methylphenyl)methylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-[(2-chloro-6-methylphenyl)methylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(3-fluoro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(4-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157053880
2-[4-[[2-(5-chloro-1-methylindol-3-yl)ethyl-ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[ethyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[(1H-indol-7-ylmethylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 157438874

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[4-[2-amino-6-(1H-indol-4-yl)pyrimidin-4-yl]butyl]pyrrolidin-2-one;1-[3-[[2-amino-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine?
The IUPAC name of 1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[4-[2-amino-6-(1H-indol-4-yl)pyrimidin-4-yl]butyl]pyrrolidin-2-one;1-[3-[[2-amino-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine (CID 159219019) is 1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[4-[2-amino-6-(1H-indol-4-yl)pyrimidin-4-yl]butyl]pyrrolidin-2-one;1-[3-[[2-amino-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[4-[2-amino-6-(1H-indol-4-yl)pyrimidin-4-yl]butyl]pyrrolidin-2-one;1-[3-[[2-amino-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for 1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[4-[2-amino-6-(1H-indol-4-yl)pyrimidin-4-yl]butyl]pyrrolidin-2-one;1-[3-[[2-amino-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine is Cc1ccc(C)c(-c2cc(NCCCN3CCCC3=O)nc(N)n2)c1.Cc1ccc(Cl)cc1-c1cc(NCCCN2CCCC2=O)nc(N)n1.Cc1cccc(-c2cc(CCC3(c4ccc(Cl)cc4)CC3)nc(N)n2)c1C.Nc1nc(CCCCN2CCCC2=O)cc(-c2cccc3[nH]ccc23)n1.Nc1nc(NCCCN2CCCC2=O)cc(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[4-[2-amino-6-(1H-indol-4-yl)pyrimidin-4-yl]butyl]pyrrolidin-2-one;1-[3-[[2-amino-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine?
The InChIKey is KRLDPCXCHBIEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3.C20H23N5O.C19H25N5O.C18H22ClN5O.C18H20F3N5O/c1-15-4-3-5-20(16(15)2)21-14-19(26-22(25)27-21)10-11-23(12-13-23)17-6-8-18(24)9-7-17;21-20-23-14(5-1-2-11-25-12-4-8-19(25)26)13-18(24-20)15-6-3-7-17-16(15)9-10-22-17;1-13-6-7-14(2)15(11-13)16-12-17(23-19(20)22-16)21-8-4-10-24-9-3-5-18(24)25;1-12-5-6-13(19)10-14(12)15-11-16(23-18(20)22-15)21-7-3-9-24-8-2-4-17(24)25;19-18(20,21)13-6-2-1-5-12(13)14-11-15(25-17(22)24-14)23-8-4-10-26-9-3-7-16(26)27/h3-9,14H,10-13H2,1-2H3,(H2,25,26,27);3,6-7,9-10,13,22H,1-2,4-5,8,11-12H2,(H2,21,23,24);6-7,11-12H,3-5,8-10H2,1-2H3,(H3,20,21,22,23);5-6,10-11H,2-4,7-9H2,1H3,(H3,20,21,22,23);1-2,5-6,11H,3-4,7-10H2,(H3,22,23,24,25).
What are the key properties of 1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[4-[2-amino-6-(1H-indol-4-yl)pyrimidin-4-yl]butyl]pyrrolidin-2-one;1-[3-[[2-amino-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine?
1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[4-[2-amino-6-(1H-indol-4-yl)pyrimidin-4-yl]butyl]pyrrolidin-2-one;1-[3-[[2-amino-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine has a molecular weight of 1806.05 g/mol, XLogP of 17.86, 29 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[2-amino-6-(2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[4-[2-amino-6-(1H-indol-4-yl)pyrimidin-4-yl]butyl]pyrrolidin-2-one;1-[3-[[2-amino-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 159219019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).