4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(3,5-dimethoxyphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(1H-indol-5-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;methyl 5-[[4-(4-chloro-3-methoxyanilino)-5-methylpyrimidin-2-yl]amino]-2-piperazin-1-ylbenzoate;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-pyrrol-1-ylphenyl)pyrimidine-2,4-diamine

C146H170Cl2N38O8 — CID 158762194

About 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(3,5-dimethoxyphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(1H-indol-5-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;methyl 5-[[4-(4-chloro-3-methoxyanilino)-5-methylpyrimidin-2-yl]amino]-2-piperazin-1-ylbenzoate;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-pyrrol-1-ylphenyl)pyrimidine-2,4-diamine

4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(3,5-dimethoxyphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(1H-indol-5-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;methyl 5-[[4-(4-chloro-3-methoxyanilino)-5-methylpyrimidin-2-yl]amino]-2-piperazin-1-ylbenzoate;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-pyrrol-1-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 158762194) has the molecular formula C146H170Cl2N38O8 and a molecular weight of 2656.13 g/mol. Its IUPAC name is 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(3,5-dimethoxyphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(1H-indol-5-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;methyl 5-[[4-(4-chloro-3-methoxyanilino)-5-methylpyrimidin-2-yl]amino]-2-piperazin-1-ylbenzoate;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-pyrrol-1-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(3,5-dimethoxyphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(1H-indol-5-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;methyl 5-[[4-(4-chloro-3-methoxyanilino)-5-methylpyrimidin-2-yl]amino]-2-piperazin-1-ylbenzoate;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-pyrrol-1-ylphenyl)pyrimidine-2,4-diamine
• PubChem CID: 158762194
• Molecular Formula: C146H170Cl2N38O8
• Molecular Weight: 2656.13 g/mol
• Exact Mass: 2653.34
• IUPAC Name: 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(3,5-dimethoxyphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(1H-indol-5-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;methyl 5-[[4-(4-chloro-3-methoxyanilino)-5-methylpyrimidin-2-yl]amino]-2-piperazin-1-ylbenzoate;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-pyrrol-1-ylphenyl)pyrimidine-2,4-diamine
• SMILES: COC(=O)c1cc(Nc2ncc(C)c(Nc3ccc(Cl)c(OC)c3)n2)ccc1N1CCNCC1.COc1cc(Nc2nc(Nc3ccc(N4CCNCC4)nc3)ncc2C)ccc1Cl.COc1cc(Nc2nc(Nc3ccc(OC4CCNCC4)cc3)ncc2C)cc(OC)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(-n2cccc2)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(N2CCCCC2)c1.Cc1cnc(Nc2ccc(OC3CCNCC3)cc2)nc1Nc1ccc2[nH]ccc2c1
• InChI: InChI=1S/C27H35N7.C26H29N7.C24H27ClN6O3.C24H26N6O.C24H29N5O3.C21H24ClN7O/c1-21-20-28-27(30-22-9-11-24(12-10-22)34-17-15-32(2)16-18-34)31-26(21)29-23-7-6-8-25(19-23)33-13-4-3-5-14-33;1-20-19-27-26(29-21-8-10-23(11-9-21)33-16-14-31(2)15-17-33)30-25(20)28-22-6-5-7-24(18-22)32-12-3-4-13-32;1-15-14-27-24(30-22(15)28-17-4-6-19(25)21(13-17)33-2)29-16-5-7-20(18(12-16)23(32)34-3)31-10-8-26-9-11-31;1-16-15-27-24(30-23(16)28-19-4-7-22-17(14-19)8-13-26-22)29-18-2-5-20(6-3-18)31-21-9-11-25-12-10-21;1-16-15-26-24(29-23(16)27-18-12-21(30-2)14-22(13-18)31-3)28-17-4-6-19(7-5-17)32-20-8-10-25-11-9-20;1-14-12-25-21(28-20(14)26-15-3-5-17(22)18(11-15)30-2)27-16-4-6-19(24-13-16)29-9-7-23-8-10-29/h6-12,19-20H,3-5,13-18H2,1-2H3,(H2,28,29,30,31);3-13,18-19H,14-17H2,1-2H3,(H2,27,28,29,30);4-7,12-14,26H,8-11H2,1-3H3,(H2,27,28,29,30);2-8,13-15,21,25-26H,9-12H2,1H3,(H2,27,28,29,30);4-7,12-15,20,25H,8-11H2,1-3H3,(H2,26,27,28,29);3-6,11-13,23H,7-10H2,1-2H3,(H2,25,26,27,28)
• InChIKey: IOUVUDIVYWKKSI-UHFFFAOYSA-N
• XLogP: 27.00
• TPSA: 485.13 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 45
• Rotatable Bonds: 39
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2656.13
LogP ≤ 5	27.00
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(3,5-dimethoxyphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(1H-indol-5-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;methyl 5-[[4-(4-chloro-3-methoxyanilino)-5-methylpyrimidin-2-yl]amino]-2-piperazin-1-ylbenzoate;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-pyrrol-1-ylphenyl)pyrimidine-2,4-diamine?

The IUPAC name of 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(3,5-dimethoxyphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(1H-indol-5-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;methyl 5-[[4-(4-chloro-3-methoxyanilino)-5-methylpyrimidin-2-yl]amino]-2-piperazin-1-ylbenzoate;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-pyrrol-1-ylphenyl)pyrimidine-2,4-diamine (CID 158762194) is 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(3,5-dimethoxyphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(1H-indol-5-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;methyl 5-[[4-(4-chloro-3-methoxyanilino)-5-methylpyrimidin-2-yl]amino]-2-piperazin-1-ylbenzoate;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-pyrrol-1-ylphenyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(3,5-dimethoxyphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(1H-indol-5-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;methyl 5-[[4-(4-chloro-3-methoxyanilino)-5-methylpyrimidin-2-yl]amino]-2-piperazin-1-ylbenzoate;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-pyrrol-1-ylphenyl)pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(3,5-dimethoxyphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(1H-indol-5-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;methyl 5-[[4-(4-chloro-3-methoxyanilino)-5-methylpyrimidin-2-yl]amino]-2-piperazin-1-ylbenzoate;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-pyrrol-1-ylphenyl)pyrimidine-2,4-diamine is COC(=O)c1cc(Nc2ncc(C)c(Nc3ccc(Cl)c(OC)c3)n2)ccc1N1CCNCC1.COc1cc(Nc2nc(Nc3ccc(N4CCNCC4)nc3)ncc2C)ccc1Cl.COc1cc(Nc2nc(Nc3ccc(OC4CCNCC4)cc3)ncc2C)cc(OC)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(-n2cccc2)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(N2CCCCC2)c1.Cc1cnc(Nc2ccc(OC3CCNCC3)cc2)nc1Nc1ccc2[nH]ccc2c1.

What is the InChIKey of 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(3,5-dimethoxyphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(1H-indol-5-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;methyl 5-[[4-(4-chloro-3-methoxyanilino)-5-methylpyrimidin-2-yl]amino]-2-piperazin-1-ylbenzoate;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-pyrrol-1-ylphenyl)pyrimidine-2,4-diamine?

The InChIKey is IOUVUDIVYWKKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7.C26H29N7.C24H27ClN6O3.C24H26N6O.C24H29N5O3.C21H24ClN7O/c1-21-20-28-27(30-22-9-11-24(12-10-22)34-17-15-32(2)16-18-34)31-26(21)29-23-7-6-8-25(19-23)33-13-4-3-5-14-33;1-20-19-27-26(29-21-8-10-23(11-9-21)33-16-14-31(2)15-17-33)30-25(20)28-22-6-5-7-24(18-22)32-12-3-4-13-32;1-15-14-27-24(30-22(15)28-17-4-6-19(25)21(13-17)33-2)29-16-5-7-20(18(12-16)23(32)34-3)31-10-8-26-9-11-31;1-16-15-27-24(30-23(16)28-19-4-7-22-17(14-19)8-13-26-22)29-18-2-5-20(6-3-18)31-21-9-11-25-12-10-21;1-16-15-26-24(29-23(16)27-18-12-21(30-2)14-22(13-18)31-3)28-17-4-6-19(7-5-17)32-20-8-10-25-11-9-20;1-14-12-25-21(28-20(14)26-15-3-5-17(22)18(11-15)30-2)27-16-4-6-19(24-13-16)29-9-7-23-8-10-29/h6-12,19-20H,3-5,13-18H2,1-2H3,(H2,28,29,30,31);3-13,18-19H,14-17H2,1-2H3,(H2,27,28,29,30);4-7,12-14,26H,8-11H2,1-3H3,(H2,27,28,29,30);2-8,13-15,21,25-26H,9-12H2,1H3,(H2,27,28,29,30);4-7,12-15,20,25H,8-11H2,1-3H3,(H2,26,27,28,29);3-6,11-13,23H,7-10H2,1-2H3,(H2,25,26,27,28).

What are the key properties of 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(3,5-dimethoxyphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(1H-indol-5-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;methyl 5-[[4-(4-chloro-3-methoxyanilino)-5-methylpyrimidin-2-yl]amino]-2-piperazin-1-ylbenzoate;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-pyrrol-1-ylphenyl)pyrimidine-2,4-diamine?

4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(3,5-dimethoxyphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(1H-indol-5-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;methyl 5-[[4-(4-chloro-3-methoxyanilino)-5-methylpyrimidin-2-yl]amino]-2-piperazin-1-ylbenzoate;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-pyrrol-1-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 2656.13 g/mol, XLogP of 27.00, 39 rotatable bonds, 17 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidine-2,4-diamine;4-N-(3,5-dimethoxyphenyl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(1H-indol-5-yl)-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;methyl 5-[[4-(4-chloro-3-methoxyanilino)-5-methylpyrimidin-2-yl]amino]-2-piperazin-1-ylbenzoate;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-pyrrol-1-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 158762194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).