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

C153H190ClN33O6 — CID 161312589

About 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethoxyphenyl)-5-methylpyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethylphenyl)-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-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)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-(3,5-dimethoxyphenyl)-5-methylpyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethylphenyl)-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-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 161312589) has the molecular formula C153H190ClN33O6 and a molecular weight of 2622.88 g/mol. Its IUPAC name is 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethoxyphenyl)-5-methylpyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethylphenyl)-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-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethoxyphenyl)-5-methylpyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethylphenyl)-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-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
• PubChem CID: 161312589
• Molecular Formula: C153H190ClN33O6
• Molecular Weight: 2622.88 g/mol
• Exact Mass: 2620.53
• IUPAC Name: 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethoxyphenyl)-5-methylpyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethylphenyl)-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-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
• SMILES: COc1cc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)cc(OC)c1.COc1cc(Nc2nc(Nc3cccc(N4CCCCC4)c3)ncc2C)ccc1Cl.Cc1cc(C)cc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)c1.Cc1ccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C)cc1C.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(C2CCN(CCO)CC2)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(N2CCCCC2)c1
• InChI: InChI=1S/C29H39N7O.C27H35N7.C25H30N4O3.C25H30N4O.C24H30N6.C23H26ClN5O/c1-22-21-30-29(32-25-6-8-27(9-7-25)36-16-14-34(2)15-17-36)33-28(22)31-26-5-3-4-24(20-26)23-10-12-35(13-11-23)18-19-37;1-21-20-28-27(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;1-17-16-26-25(29-24(17)27-19-13-22(30-2)15-23(14-19)31-3)28-18-9-11-21(12-10-18)32-20-7-5-4-6-8-20;1-17-13-18(2)15-21(14-17)27-24-19(3)16-26-25(29-24)28-20-9-11-23(12-10-20)30-22-7-5-4-6-8-22;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/h3-9,20-21,23,37H,10-19H2,1-2H3,(H2,30,31,32,33);6-12,19-20H,3-5,13-18H2,1-2H3,(H2,28,29,30,31);9-16,20H,4-8H2,1-3H3,(H2,26,27,28,29);9-16,22H,4-8H2,1-3H3,(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)
• InChIKey: VJBWCFDWHFCLJM-UHFFFAOYSA-N
• XLogP: 32.38
• TPSA: 394.58 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 39
• Rotatable Bonds: 39
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2622.88
LogP ≤ 5	32.38
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	39

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-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethoxyphenyl)-5-methylpyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethylphenyl)-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-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?

The IUPAC name of 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethoxyphenyl)-5-methylpyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethylphenyl)-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-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine (CID 161312589) is 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethoxyphenyl)-5-methylpyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethylphenyl)-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-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethoxyphenyl)-5-methylpyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethylphenyl)-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-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethoxyphenyl)-5-methylpyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethylphenyl)-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-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine is COc1cc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)cc(OC)c1.COc1cc(Nc2nc(Nc3cccc(N4CCCCC4)c3)ncc2C)ccc1Cl.Cc1cc(C)cc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)c1.Cc1ccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C)cc1C.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(C2CCN(CCO)CC2)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(N2CCCCC2)c1.

What is the InChIKey of 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethoxyphenyl)-5-methylpyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethylphenyl)-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-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine?

The InChIKey is VJBWCFDWHFCLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N7O.C27H35N7.C25H30N4O3.C25H30N4O.C24H30N6.C23H26ClN5O/c1-22-21-30-29(32-25-6-8-27(9-7-25)36-16-14-34(2)15-17-36)33-28(22)31-26-5-3-4-24(20-26)23-10-12-35(13-11-23)18-19-37;1-21-20-28-27(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;1-17-16-26-25(29-24(17)27-19-13-22(30-2)15-23(14-19)31-3)28-18-9-11-21(12-10-18)32-20-7-5-4-6-8-20;1-17-13-18(2)15-21(14-17)27-24-19(3)16-26-25(29-24)28-20-9-11-23(12-10-20)30-22-7-5-4-6-8-22;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/h3-9,20-21,23,37H,10-19H2,1-2H3,(H2,30,31,32,33);6-12,19-20H,3-5,13-18H2,1-2H3,(H2,28,29,30,31);9-16,20H,4-8H2,1-3H3,(H2,26,27,28,29);9-16,22H,4-8H2,1-3H3,(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)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethoxyphenyl)-5-methylpyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethylphenyl)-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-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)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-(3,5-dimethoxyphenyl)-5-methylpyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethylphenyl)-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-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 2622.88 g/mol, XLogP of 32.38, 39 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethoxyphenyl)-5-methylpyrimidine-2,4-diamine;2-N-(4-cyclohexyloxyphenyl)-4-N-(3,5-dimethylphenyl)-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-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 161312589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).