4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate

C134H144Cl6F2N30O7 — CID 158188002

IUPAC4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate
SMILESCc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)C(C)(C)C)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)C3CC3)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)NC(C)C)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)OC(C)(C)C)c2)nc(N)n1.Cc1cc(Cl)cc(-c2cc(CCCc3ccc(C(N)=O)cc3)nc(N)n2)c1F.NC(=O)c1ccc(CCNc2cc(-c3cccc(Cl)c3F)nc(N)n2)cc1
InChIInChI=1S/C24H28ClN5O2.C24H28ClN5O.C23H27ClN6O.C23H24ClN5O.C21H20ClFN4O.C19H17ClFN5O/c1-15-18(9-6-10-19(15)25)20-14-21(30-22(26)29-20)27-12-11-16-7-5-8-17(13-16)28-23(31)32-24(2,3)4;1-15-18(9-6-10-19(15)25)20-14-21(30-23(26)29-20)27-12-11-16-7-5-8-17(13-16)28-22(31)24(2,3)4;1-14(2)27-23(31)28-17-7-4-6-16(12-17)10-11-26-21-13-20(29-22(25)30-21)18-8-5-9-19(24)15(18)3;1-14-18(6-3-7-19(14)24)20-13-21(29-23(25)28-20)26-11-10-15-4-2-5-17(12-15)27-22(30)16-8-9-16;1-12-9-15(22)10-17(19(12)23)18-11-16(26-21(25)27-18)4-2-3-13-5-7-14(8-6-13)20(24)28;20-14-3-1-2-13(17(14)21)15-10-16(26-19(23)25-15)24-9-8-11-4-6-12(7-5-11)18(22)27/h5-10,13-14H,11-12H2,1-4H3,(H,28,31)(H3,26,27,29,30);5-10,13-14H,11-12H2,1-4H3,(H,28,31)(H3,26,27,29,30);4-9,12-14H,10-11H2,1-3H3,(H2,27,28,31)(H3,25,26,29,30);2-7,12-13,16H,8-11H2,1H3,(H,27,30)(H3,25,26,28,29);5-11H,2-4H2,1H3,(H2,24,28)(H2,25,26,27);1-7,10H,8-9H2,(H2,22,27)(H3,23,24,25,26)
InChIKeyFZJOVIIGWWAZCN-UHFFFAOYSA-N
MW2537.54 g/mol
LogP27.95
Rot. Bonds38

About 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate

4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate (PubChem CID 158188002) has the molecular formula C134H144Cl6F2N30O7 and a molecular weight of 2537.54 g/mol. Its IUPAC name is 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate.

Molecular Properties

Compound Name4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate
PubChem CID158188002
Molecular FormulaC134H144Cl6F2N30O7
Molecular Weight2537.54 g/mol
Exact Mass2532.99
IUPAC Name4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate
SMILESCc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)C(C)(C)C)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)C3CC3)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)NC(C)C)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)OC(C)(C)C)c2)nc(N)n1.Cc1cc(Cl)cc(-c2cc(CCCc3ccc(C(N)=O)cc3)nc(N)n2)c1F.NC(=O)c1ccc(CCNc2cc(-c3cccc(Cl)c3F)nc(N)n2)cc1
InChIInChI=1S/C24H28ClN5O2.C24H28ClN5O.C23H27ClN6O.C23H24ClN5O.C21H20ClFN4O.C19H17ClFN5O/c1-15-18(9-6-10-19(15)25)20-14-21(30-22(26)29-20)27-12-11-16-7-5-8-17(13-16)28-23(31)32-24(2,3)4;1-15-18(9-6-10-19(15)25)20-14-21(30-23(26)29-20)27-12-11-16-7-5-8-17(13-16)28-22(31)24(2,3)4;1-14(2)27-23(31)28-17-7-4-6-16(12-17)10-11-26-21-13-20(29-22(25)30-21)18-8-5-9-19(24)15(18)3;1-14-18(6-3-7-19(14)24)20-13-21(29-23(25)28-20)26-11-10-15-4-2-5-17(12-15)27-22(30)16-8-9-16;1-12-9-15(22)10-17(19(12)23)18-11-16(26-21(25)27-18)4-2-3-13-5-7-14(8-6-13)20(24)28;20-14-3-1-2-13(17(14)21)15-10-16(26-19(23)25-15)24-9-8-11-4-6-12(7-5-11)18(22)27/h5-10,13-14H,11-12H2,1-4H3,(H,28,31)(H3,26,27,29,30);5-10,13-14H,11-12H2,1-4H3,(H,28,31)(H3,26,27,29,30);4-9,12-14H,10-11H2,1-3H3,(H2,27,28,31)(H3,25,26,29,30);2-7,12-13,16H,8-11H2,1H3,(H,27,30)(H3,25,26,28,29);5-11H,2-4H2,1H3,(H2,24,28)(H2,25,26,27);1-7,10H,8-9H2,(H2,22,27)(H3,23,24,25,26)
InChIKeyFZJOVIIGWWAZCN-UHFFFAOYSA-N
XLogP27.95
TPSA594.79 Ų
H-Bond Donors18
H-Bond Acceptors30
Rotatable Bonds38
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002537.54
LogP ≤ 527.95
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1030

Analyze 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[5,7-bis(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-(6,8-difluoroquinazolin-4-yl)piperidin-4-yl]benzamide
CID 87611673
8-chloro-3-[(1S)-1-[[2-(cyclopropylamino)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylisoquinolin-1-one;bis(8-chloro-3-[(1S)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one);8-chloro-3-[(1S)-1-[(2-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-phenylisoquinolin-1-one;methane
CID 158187992
3-[(1S)-1-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethyl]-8-chloro-2-cyclopropylisoquinolin-1-one;2-amino-4-[[(1S)-1-(8-chloro-2-cyclopropyl-1-oxoisoquinolin-3-yl)ethyl]amino]-N-methylpyrimidine-5-carboxamide;3-[(1S)-1-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl]-8-chloro-2-cyclopropylisoquinolin-1-one;8-chloro-2-cyclopropyl-3-[(1S)-1-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]isoquinolin-1-one;3-[(1S)-1-[(5-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-8-methyl-2-phenylisoquinolin-1-one;sulfane
CID 159093349
tris(3-[(1S)-1-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl]-8-chloro-2-cyclopropylisoquinolin-1-one);3-[(1S)-1-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethyl]-2-cyclopropylisoquinolin-1-one;8-chloro-3-[(1S)-1-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-phenylisoquinolin-1-one
CID 159634520
4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2,2-dimethylmorpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;2,2-dimethylmorpholine;N-[3-[6-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 160517270
8-chloro-3-[(1R)-1-[[2-(cyclopropylmethyl)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1R)-1-[(2-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1R)-1-[(2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1R)-1-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-phenylisoquinolin-1-one
CID 160692904
tert-butyl 2-chloro-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;tert-butyl 2-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 161265070
N-[(2S)-3-(2-chloro-3-fluoro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-3-(2-chloro-3-fluoro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3S)-N-[(2S)-3-(2-chloro-3-fluoro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide;(3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide
CID 167618666
8-chloro-3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-phenylisoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-phenylisoquinolin-1-one
CID 157276610
6-[2-Chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[3-fluoro-4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-5-pyridin-2-ylphenyl)-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-5-pyrimidin-2-ylphenyl)-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 157563243
6-[2-Chloro-4-(2,6-dimethyl-3-pyridinyl)phenyl]-8-ethyl-2-(3-fluoro-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2,6-dimethyl-3-pyridinyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-(3-fluoro-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-fluoro-3-pyridinyl)phenyl]-8-ethyl-2-(3-fluoro-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 157929151
1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(3H-inden-1-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 158086644

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate?
The IUPAC name of 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate (CID 158188002) is 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate.
What is the SMILES notation for 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate?
The canonical SMILES for 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate is Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)C(C)(C)C)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)C3CC3)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)NC(C)C)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)OC(C)(C)C)c2)nc(N)n1.Cc1cc(Cl)cc(-c2cc(CCCc3ccc(C(N)=O)cc3)nc(N)n2)c1F.NC(=O)c1ccc(CCNc2cc(-c3cccc(Cl)c3F)nc(N)n2)cc1.
What is the InChIKey of 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate?
The InChIKey is FZJOVIIGWWAZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O2.C24H28ClN5O.C23H27ClN6O.C23H24ClN5O.C21H20ClFN4O.C19H17ClFN5O/c1-15-18(9-6-10-19(15)25)20-14-21(30-22(26)29-20)27-12-11-16-7-5-8-17(13-16)28-23(31)32-24(2,3)4;1-15-18(9-6-10-19(15)25)20-14-21(30-23(26)29-20)27-12-11-16-7-5-8-17(13-16)28-22(31)24(2,3)4;1-14(2)27-23(31)28-17-7-4-6-16(12-17)10-11-26-21-13-20(29-22(25)30-21)18-8-5-9-19(24)15(18)3;1-14-18(6-3-7-19(14)24)20-13-21(29-23(25)28-20)26-11-10-15-4-2-5-17(12-15)27-22(30)16-8-9-16;1-12-9-15(22)10-17(19(12)23)18-11-16(26-21(25)27-18)4-2-3-13-5-7-14(8-6-13)20(24)28;20-14-3-1-2-13(17(14)21)15-10-16(26-19(23)25-15)24-9-8-11-4-6-12(7-5-11)18(22)27/h5-10,13-14H,11-12H2,1-4H3,(H,28,31)(H3,26,27,29,30);5-10,13-14H,11-12H2,1-4H3,(H,28,31)(H3,26,27,29,30);4-9,12-14H,10-11H2,1-3H3,(H2,27,28,31)(H3,25,26,29,30);2-7,12-13,16H,8-11H2,1H3,(H,27,30)(H3,25,26,28,29);5-11H,2-4H2,1H3,(H2,24,28)(H2,25,26,27);1-7,10H,8-9H2,(H2,22,27)(H3,23,24,25,26).
What are the key properties of 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate?
4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate has a molecular weight of 2537.54 g/mol, XLogP of 27.95, 38 rotatable bonds, 18 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate is sourced from PubChem (CID 158188002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).