4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-[4-[3-[[5-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-[3-(piperidin-4-ylmethylsulfonyl)phenyl]pyrimidine-2,4-diamine

C179H218Cl3N39O8S — CID 160556704

IUPAC4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-[4-[3-[[5-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-[3-(piperidin-4-ylmethylsulfonyl)phenyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)ccc1Cl.COc1cc(Nc2nc(Nc3cccc(CN4CCCCC4)c3)ncc2C)ccc1Cl.COc1cc(Nc2nc(Nc3cccc(N4CCCCC4)c3)ncc2C)ccc1Cl.Cc1ccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C)cc1C.Cc1cnc(Nc2ccc(OC3CCCCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2cccc(CN3CCN(C)CC3)c2)nc1Nc1cccc(C2CCN(CCO)CC2)c1.Cc1cnc(Nc2cccc(CN3CCN(C)CC3)c2)nc1Nc1cccc(S(=O)(=O)CC2CCNCC2)c1
InChIInChI=1S/C30H41N7O.C29H39N7O2S.C25H27N5O.C24H28ClN5O.C24H27ClN4O2.C24H30N6.C23H26ClN5O/c1-23-21-31-30(33-27-7-3-5-24(19-27)22-37-15-13-35(2)14-16-37)34-29(23)32-28-8-4-6-26(20-28)25-9-11-36(12-10-25)17-18-38;1-22-19-31-29(33-25-6-3-5-24(17-25)20-36-15-13-35(2)14-16-36)34-28(22)32-26-7-4-8-27(18-26)39(37,38)21-23-9-11-30-12-10-23;1-17-16-27-25(30-24(17)29-23-9-5-8-22-21(23)14-15-26-22)28-18-10-12-20(13-11-18)31-19-6-3-2-4-7-19;1-17-15-26-24(29-23(17)27-20-9-10-21(25)22(14-20)31-2)28-19-8-6-7-18(13-19)16-30-11-4-3-5-12-30;1-16-15-26-24(29-23(16)27-18-10-13-21(25)22(14-18)30-2)28-17-8-11-20(12-9-17)31-19-6-4-3-5-7-19;1-17-5-6-21(15-18(17)2)26-23-19(3)16-25-24(28-23)27-20-7-9-22(10-8-20)30-13-11-29(4)12-14-30;1-16-15-25-23(28-22(16)26-18-9-10-20(24)21(14-18)30-2)27-17-7-6-8-19(13-17)29-11-4-3-5-12-29/h3-8,19-21,25,38H,9-18,22H2,1-2H3,(H2,31,32,33,34);3-8,17-19,23,30H,9-16,20-21H2,1-2H3,(H2,31,32,33,34);5,8-16,19,26H,2-4,6-7H2,1H3,(H2,27,28,29,30);6-10,13-15H,3-5,11-12,16H2,1-2H3,(H2,26,27,28,29);8-15,19H,3-7H2,1-2H3,(H2,26,27,28,29);5-10,15-16H,11-14H2,1-4H3,(H2,25,26,27,28);6-10,13-15H,3-5,11-12H2,1-2H3,(H2,25,26,27,28)
InChIKeyQYTWLLQSFWWPGM-UHFFFAOYSA-N
MW3182.40 g/mol
LogP37.58
Rot. Bonds49

About 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-[4-[3-[[5-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-[3-(piperidin-4-ylmethylsulfonyl)phenyl]pyrimidine-2,4-diamine

4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-[4-[3-[[5-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-[3-(piperidin-4-ylmethylsulfonyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 160556704) has the molecular formula C179H218Cl3N39O8S and a molecular weight of 3182.40 g/mol. Its IUPAC name is 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-[4-[3-[[5-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-[3-(piperidin-4-ylmethylsulfonyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-[4-[3-[[5-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-[3-(piperidin-4-ylmethylsulfonyl)phenyl]pyrimidine-2,4-diamine
PubChem CID160556704
Molecular FormulaC179H218Cl3N39O8S
Molecular Weight3182.40 g/mol
Exact Mass3178.66
IUPAC Name4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-[4-[3-[[5-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-[3-(piperidin-4-ylmethylsulfonyl)phenyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)ccc1Cl.COc1cc(Nc2nc(Nc3cccc(CN4CCCCC4)c3)ncc2C)ccc1Cl.COc1cc(Nc2nc(Nc3cccc(N4CCCCC4)c3)ncc2C)ccc1Cl.Cc1ccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C)cc1C.Cc1cnc(Nc2ccc(OC3CCCCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2cccc(CN3CCN(C)CC3)c2)nc1Nc1cccc(C2CCN(CCO)CC2)c1.Cc1cnc(Nc2cccc(CN3CCN(C)CC3)c2)nc1Nc1cccc(S(=O)(=O)CC2CCNCC2)c1
InChIInChI=1S/C30H41N7O.C29H39N7O2S.C25H27N5O.C24H28ClN5O.C24H27ClN4O2.C24H30N6.C23H26ClN5O/c1-23-21-31-30(33-27-7-3-5-24(19-27)22-37-15-13-35(2)14-16-37)34-29(23)32-28-8-4-6-26(20-28)25-9-11-36(12-10-25)17-18-38;1-22-19-31-29(33-25-6-3-5-24(17-25)20-36-15-13-35(2)14-16-36)34-28(22)32-26-7-4-8-27(18-26)39(37,38)21-23-9-11-30-12-10-23;1-17-16-27-25(30-24(17)29-23-9-5-8-22-21(23)14-15-26-22)28-18-10-12-20(13-11-18)31-19-6-3-2-4-7-19;1-17-15-26-24(29-23(17)27-20-9-10-21(25)22(14-20)31-2)28-19-8-6-7-18(13-19)16-30-11-4-3-5-12-30;1-16-15-26-24(29-23(16)27-18-10-13-21(25)22(14-18)30-2)28-17-8-11-20(12-9-17)31-19-6-4-3-5-7-19;1-17-5-6-21(15-18(17)2)26-23-19(3)16-25-24(28-23)27-20-7-9-22(10-8-20)30-13-11-29(4)12-14-30;1-16-15-25-23(28-22(16)26-18-9-10-20(24)21(14-18)30-2)27-17-7-6-8-19(13-17)29-11-4-3-5-12-29/h3-8,19-21,25,38H,9-18,22H2,1-2H3,(H2,31,32,33,34);3-8,17-19,23,30H,9-16,20-21H2,1-2H3,(H2,31,32,33,34);5,8-16,19,26H,2-4,6-7H2,1H3,(H2,27,28,29,30);6-10,13-15H,3-5,11-12,16H2,1-2H3,(H2,26,27,28,29);8-15,19H,3-7H2,1-2H3,(H2,26,27,28,29);5-10,15-16H,11-14H2,1-4H3,(H2,25,26,27,28);6-10,13-15H,3-5,11-12H2,1-2H3,(H2,25,26,27,28)
InChIKeyQYTWLLQSFWWPGM-UHFFFAOYSA-N
XLogP37.58
TPSA506.38 Ų
H-Bond Donors17
H-Bond Acceptors46
Rotatable Bonds49
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003182.40
LogP ≤ 537.58
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-[4-[3-[[5-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-[3-(piperidin-4-ylmethylsulfonyl)phenyl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-[4-[3-[[5-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-[3-(piperidin-4-ylmethylsulfonyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-[4-[3-[[5-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-[3-(piperidin-4-ylmethylsulfonyl)phenyl]pyrimidine-2,4-diamine (CID 160556704) is 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-[4-[3-[[5-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-[3-(piperidin-4-ylmethylsulfonyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-[4-[3-[[5-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-[3-(piperidin-4-ylmethylsulfonyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-[4-[3-[[5-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-[3-(piperidin-4-ylmethylsulfonyl)phenyl]pyrimidine-2,4-diamine is COc1cc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)ccc1Cl.COc1cc(Nc2nc(Nc3cccc(CN4CCCCC4)c3)ncc2C)ccc1Cl.COc1cc(Nc2nc(Nc3cccc(N4CCCCC4)c3)ncc2C)ccc1Cl.Cc1ccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C)cc1C.Cc1cnc(Nc2ccc(OC3CCCCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2cccc(CN3CCN(C)CC3)c2)nc1Nc1cccc(C2CCN(CCO)CC2)c1.Cc1cnc(Nc2cccc(CN3CCN(C)CC3)c2)nc1Nc1cccc(S(=O)(=O)CC2CCNCC2)c1.
What is the InChIKey of 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-[4-[3-[[5-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-[3-(piperidin-4-ylmethylsulfonyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is QYTWLLQSFWWPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N7O.C29H39N7O2S.C25H27N5O.C24H28ClN5O.C24H27ClN4O2.C24H30N6.C23H26ClN5O/c1-23-21-31-30(33-27-7-3-5-24(19-27)22-37-15-13-35(2)14-16-37)34-29(23)32-28-8-4-6-26(20-28)25-9-11-36(12-10-25)17-18-38;1-22-19-31-29(33-25-6-3-5-24(17-25)20-36-15-13-35(2)14-16-36)34-28(22)32-26-7-4-8-27(18-26)39(37,38)21-23-9-11-30-12-10-23;1-17-16-27-25(30-24(17)29-23-9-5-8-22-21(23)14-15-26-22)28-18-10-12-20(13-11-18)31-19-6-3-2-4-7-19;1-17-15-26-24(29-23(17)27-20-9-10-21(25)22(14-20)31-2)28-19-8-6-7-18(13-19)16-30-11-4-3-5-12-30;1-16-15-26-24(29-23(16)27-18-10-13-21(25)22(14-18)30-2)28-17-8-11-20(12-9-17)31-19-6-4-3-5-7-19;1-17-5-6-21(15-18(17)2)26-23-19(3)16-25-24(28-23)27-20-7-9-22(10-8-20)30-13-11-29(4)12-14-30;1-16-15-25-23(28-22(16)26-18-9-10-20(24)21(14-18)30-2)27-17-7-6-8-19(13-17)29-11-4-3-5-12-29/h3-8,19-21,25,38H,9-18,22H2,1-2H3,(H2,31,32,33,34);3-8,17-19,23,30H,9-16,20-21H2,1-2H3,(H2,31,32,33,34);5,8-16,19,26H,2-4,6-7H2,1H3,(H2,27,28,29,30);6-10,13-15H,3-5,11-12,16H2,1-2H3,(H2,26,27,28,29);8-15,19H,3-7H2,1-2H3,(H2,26,27,28,29);5-10,15-16H,11-14H2,1-4H3,(H2,25,26,27,28);6-10,13-15H,3-5,11-12H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-[4-[3-[[5-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-[3-(piperidin-4-ylmethylsulfonyl)phenyl]pyrimidine-2,4-diamine?
4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-[4-[3-[[5-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-[3-(piperidin-4-ylmethylsulfonyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 3182.40 g/mol, XLogP of 37.58, 49 rotatable bonds, 17 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-3-methoxyphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-[4-[3-[[5-methyl-2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-N-[3-(piperidin-4-ylmethylsulfonyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 160556704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).