4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylbenzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-3-methylbenzamide

C169H164Cl8F4N32O18 — CID 159608604

IUPAC4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylbenzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-3-methylbenzamide
SMILESCC(C)Nc1ncc(Cl)c(-c2ccc(C(=O)N[C@H](CO)c3cccc(Cl)c3)cc2)n1.Cc1cc(C(=O)N[C@H](CO)c2cccc(Cl)c2)ccc1-c1nc(N[C@@H](C)CO)ncc1Cl.Cc1cc(C(=O)N[C@H](CO)c2cccc(Cl)c2)ccc1-c1nc(N[C@@H](C)CO)ncc1F.Cc1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccnc(N)n3)cc2)c1.Nc1nccc(-c2ccc(C(=O)N[C@@H](CO)c3ccccc3)cc2)n1.Nc1nccc(-c2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2)n1.O=C(N[C@H](CO)c1cccc(Cl)c1)c1ccc(-c2ccnc(NC3CC3)n2)cc1.O=C(N[C@H](CO)c1cccc(Cl)c1)c1ccc(-c2nc(NCC(F)(F)F)ncc2Cl)cc1
InChIInChI=1S/C23H24Cl2N4O3.C23H24ClFN4O3.C22H22Cl2N4O2.C22H21ClN4O2.C21H17Cl2F3N4O2.C20H20N4O2.2C19H18N4O2/c2*1-13-8-16(22(32)28-20(12-31)15-4-3-5-17(24)9-15)6-7-18(13)21-19(25)10-26-23(29-21)27-14(2)11-30;1-13(2)26-22-25-11-18(24)20(28-22)14-6-8-15(9-7-14)21(30)27-19(12-29)16-4-3-5-17(23)10-16;23-17-3-1-2-16(12-17)20(13-28)26-21(29)15-6-4-14(5-7-15)19-10-11-24-22(27-19)25-18-8-9-18;22-15-3-1-2-14(8-15)17(10-31)29-19(32)13-6-4-12(5-7-13)18-16(23)9-27-20(30-18)28-11-21(24,25)26;1-13-3-2-4-16(11-13)18(12-25)23-19(26)15-7-5-14(6-8-15)17-9-10-22-20(21)24-17;2*20-19-21-11-10-16(23-19)14-6-8-15(9-7-14)18(25)22-17(12-24)13-4-2-1-3-5-13/h2*3-10,14,20,30-31H,11-12H2,1-2H3,(H,28,32)(H,26,27,29);3-11,13,19,29H,12H2,1-2H3,(H,27,30)(H,25,26,28);1-7,10-12,18,20,28H,8-9,13H2,(H,26,29)(H,24,25,27);1-9,17,31H,10-11H2,(H,29,32)(H,27,28,30);2-11,18,25H,12H2,1H3,(H,23,26)(H2,21,22,24);2*1-11,17,24H,12H2,(H,22,25)(H2,20,21,23)/t2*14-,20+;19-;20-;17-;18-;2*17-/m00111110/s1
InChIKeyMMJVMTHKRPQVOB-IITROJMZSA-N
MW3290.99 g/mol
LogP27.85
Rot. Bonds52

About 4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylbenzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-3-methylbenzamide

4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylbenzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-3-methylbenzamide (PubChem CID 159608604) has the molecular formula C169H164Cl8F4N32O18 and a molecular weight of 3290.99 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylbenzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-3-methylbenzamide.

Molecular Properties

Compound Name4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylbenzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-3-methylbenzamide
PubChem CID159608604
Molecular FormulaC169H164Cl8F4N32O18
Molecular Weight3290.99 g/mol
Exact Mass3285.03
IUPAC Name4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylbenzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-3-methylbenzamide
SMILESCC(C)Nc1ncc(Cl)c(-c2ccc(C(=O)N[C@H](CO)c3cccc(Cl)c3)cc2)n1.Cc1cc(C(=O)N[C@H](CO)c2cccc(Cl)c2)ccc1-c1nc(N[C@@H](C)CO)ncc1Cl.Cc1cc(C(=O)N[C@H](CO)c2cccc(Cl)c2)ccc1-c1nc(N[C@@H](C)CO)ncc1F.Cc1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccnc(N)n3)cc2)c1.Nc1nccc(-c2ccc(C(=O)N[C@@H](CO)c3ccccc3)cc2)n1.Nc1nccc(-c2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2)n1.O=C(N[C@H](CO)c1cccc(Cl)c1)c1ccc(-c2ccnc(NC3CC3)n2)cc1.O=C(N[C@H](CO)c1cccc(Cl)c1)c1ccc(-c2nc(NCC(F)(F)F)ncc2Cl)cc1
InChIInChI=1S/C23H24Cl2N4O3.C23H24ClFN4O3.C22H22Cl2N4O2.C22H21ClN4O2.C21H17Cl2F3N4O2.C20H20N4O2.2C19H18N4O2/c2*1-13-8-16(22(32)28-20(12-31)15-4-3-5-17(24)9-15)6-7-18(13)21-19(25)10-26-23(29-21)27-14(2)11-30;1-13(2)26-22-25-11-18(24)20(28-22)14-6-8-15(9-7-14)21(30)27-19(12-29)16-4-3-5-17(23)10-16;23-17-3-1-2-16(12-17)20(13-28)26-21(29)15-6-4-14(5-7-15)19-10-11-24-22(27-19)25-18-8-9-18;22-15-3-1-2-14(8-15)17(10-31)29-19(32)13-6-4-12(5-7-13)18-16(23)9-27-20(30-18)28-11-21(24,25)26;1-13-3-2-4-16(11-13)18(12-25)23-19(26)15-7-5-14(6-8-15)17-9-10-22-20(21)24-17;2*20-19-21-11-10-16(23-19)14-6-8-15(9-7-14)18(25)22-17(12-24)13-4-2-1-3-5-13/h2*3-10,14,20,30-31H,11-12H2,1-2H3,(H,28,32)(H,26,27,29);3-11,13,19,29H,12H2,1-2H3,(H,27,30)(H,25,26,28);1-7,10-12,18,20,28H,8-9,13H2,(H,26,29)(H,24,25,27);1-9,17,31H,10-11H2,(H,29,32)(H,27,28,30);2-11,18,25H,12H2,1H3,(H,23,26)(H2,21,22,24);2*1-11,17,24H,12H2,(H,22,25)(H2,20,21,23)/t2*14-,20+;19-;20-;17-;18-;2*17-/m00111110/s1
InChIKeyMMJVMTHKRPQVOB-IITROJMZSA-N
XLogP27.85
TPSA779.55 Ų
H-Bond Donors26
H-Bond Acceptors42
Rotatable Bonds52
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003290.99
LogP ≤ 527.85
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1042

Analyze 4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylbenzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-3-methylbenzamide with MolForge

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Related Compounds

8-[2-amino-4-[[6-[1-(4-chloro-3-fluorophenyl)propylcarbamoyl]isoquinolin-3-yl]amino]-4-methyliminobutyl]-N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-4-pyridinyl)amino]isoquinoline-6-carboxamide
CID 123885950
1-[1-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 157197270
1-[3-chloro-5-(1-hydroxypropan-2-yl)-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide;4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide;1-(3-chloro-2-pyridinyl)-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-methylphenyl)piperazine-1-carboxamide;2-methyl-N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 157225509
N-[(6-chloro-3-pyridinyl)methyl]-3-cyclohexyl-5-(4-methylphenyl)benzamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-cyclohexyl-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(1S)-2-hydroxy-1-(2-methylpyrimidin-5-yl)ethyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(2-methoxypyrimidin-5-yl)methyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 157444149
(2R)-4-[3-chloro-5-(1-hydroxypropan-2-yl)-2-pyridinyl]-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide;1-(3-chloro-2-pyridinyl)-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-methylphenyl)piperazine-1-carboxamide;(2R)-2-methyl-N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 157625358
3-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-cyclohexylbenzamide;3-(4-chlorophenyl)-5-cyclohexyl-N-[(1S)-2-hydroxy-1-(2-methoxypyrimidin-5-yl)ethyl]benzamide;3-(4-chlorophenyl)-5-cyclohexyl-N-[(1S)-2-hydroxy-1-(2-methylpyrimidin-5-yl)ethyl]benzamide;3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-(2-methoxypyrimidin-5-yl)ethyl]benzamide;3-(4-chlorophenyl)-5-cyclohexyl-N-[(2-methoxypyrimidin-5-yl)methyl]benzamide;3-(4-chlorophenyl)-5-cyclohexyl-N-(1-pyrazin-2-ylethyl)benzamide
CID 158027948
3-cyclohexyl-N-(cyclopropylmethyl)-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(1S)-2-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(2R)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide
CID 158032451
3-(4-chlorophenyl)-N-[(6-chloro-3-pyridinyl)methyl]-5-cyclohexylbenzamide;3-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-cyclohexylbenzamide;3-(4-chlorophenyl)-5-cyclohexyl-N-(cyclopropylmethyl)benzamide;3-(4-chlorophenyl)-5-cyclohexyl-N-[(1S)-2-hydroxy-1-(2-methylpyrimidin-5-yl)ethyl]benzamide;3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide;3-(4-chlorophenyl)-5-cyclohexyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 158170733
CID 158632926
CID 158632926
1-[1-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[2-hydroxy-1-(3-methylphenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;3-[2-hydroxy-1-[4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-2-oxo-1-pyridinyl]ethyl]benzonitrile;1-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 158695208
N-[(6-chloro-3-pyridinyl)methyl]-3-cyclohexyl-5-(4-methylphenyl)benzamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-cyclohexyl-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-(cyclopropylmethyl)-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(1S)-2-hydroxy-1-(2-methylpyrimidin-5-yl)ethyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 159304014
3-(4-chlorophenyl)-5-cyclohexyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide;3-(4-chlorophenyl)-5-cyclohexyl-N-[(1S)-2-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide;3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide;3-(4-chlorophenyl)-5-cyclohexyl-N-[(2R)-1-methoxypropan-2-yl]benzamide;3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide;3-(4-chlorophenyl)-5-cyclohexyl-N-[(2-methylpyrimidin-5-yl)methyl]benzamide
CID 160409804

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylbenzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-3-methylbenzamide?
The IUPAC name of 4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylbenzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-3-methylbenzamide (CID 159608604) is 4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylbenzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-3-methylbenzamide.
What is the SMILES notation for 4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylbenzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-3-methylbenzamide?
The canonical SMILES for 4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylbenzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-3-methylbenzamide is CC(C)Nc1ncc(Cl)c(-c2ccc(C(=O)N[C@H](CO)c3cccc(Cl)c3)cc2)n1.Cc1cc(C(=O)N[C@H](CO)c2cccc(Cl)c2)ccc1-c1nc(N[C@@H](C)CO)ncc1Cl.Cc1cc(C(=O)N[C@H](CO)c2cccc(Cl)c2)ccc1-c1nc(N[C@@H](C)CO)ncc1F.Cc1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccnc(N)n3)cc2)c1.Nc1nccc(-c2ccc(C(=O)N[C@@H](CO)c3ccccc3)cc2)n1.Nc1nccc(-c2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2)n1.O=C(N[C@H](CO)c1cccc(Cl)c1)c1ccc(-c2ccnc(NC3CC3)n2)cc1.O=C(N[C@H](CO)c1cccc(Cl)c1)c1ccc(-c2nc(NCC(F)(F)F)ncc2Cl)cc1.
What is the InChIKey of 4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylbenzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-3-methylbenzamide?
The InChIKey is MMJVMTHKRPQVOB-IITROJMZSA-N. The full InChI is InChI=1S/C23H24Cl2N4O3.C23H24ClFN4O3.C22H22Cl2N4O2.C22H21ClN4O2.C21H17Cl2F3N4O2.C20H20N4O2.2C19H18N4O2/c2*1-13-8-16(22(32)28-20(12-31)15-4-3-5-17(24)9-15)6-7-18(13)21-19(25)10-26-23(29-21)27-14(2)11-30;1-13(2)26-22-25-11-18(24)20(28-22)14-6-8-15(9-7-14)21(30)27-19(12-29)16-4-3-5-17(23)10-16;23-17-3-1-2-16(12-17)20(13-28)26-21(29)15-6-4-14(5-7-15)19-10-11-24-22(27-19)25-18-8-9-18;22-15-3-1-2-14(8-15)17(10-31)29-19(32)13-6-4-12(5-7-13)18-16(23)9-27-20(30-18)28-11-21(24,25)26;1-13-3-2-4-16(11-13)18(12-25)23-19(26)15-7-5-14(6-8-15)17-9-10-22-20(21)24-17;2*20-19-21-11-10-16(23-19)14-6-8-15(9-7-14)18(25)22-17(12-24)13-4-2-1-3-5-13/h2*3-10,14,20,30-31H,11-12H2,1-2H3,(H,28,32)(H,26,27,29);3-11,13,19,29H,12H2,1-2H3,(H,27,30)(H,25,26,28);1-7,10-12,18,20,28H,8-9,13H2,(H,26,29)(H,24,25,27);1-9,17,31H,10-11H2,(H,29,32)(H,27,28,30);2-11,18,25H,12H2,1H3,(H,23,26)(H2,21,22,24);2*1-11,17,24H,12H2,(H,22,25)(H2,20,21,23)/t2*14-,20+;19-;20-;17-;18-;2*17-/m00111110/s1.
What are the key properties of 4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylbenzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-3-methylbenzamide?
4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylbenzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-3-methylbenzamide has a molecular weight of 3290.99 g/mol, XLogP of 27.85, 52 rotatable bonds, 26 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide;4-(2-aminopyrimidin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-methylbenzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)pyrimidin-4-yl]benzamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-3-methylbenzamide is sourced from PubChem (CID 159608604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).