5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

C116H157Cl3N24O12P4S2 — CID 158562660

About 5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 158562660) has the molecular formula C116H157Cl3N24O12P4S2 and a molecular weight of 2374.08 g/mol. Its IUPAC name is 5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
• PubChem CID: 158562660
• Molecular Formula: C116H157Cl3N24O12P4S2
• Molecular Weight: 2374.08 g/mol
• Exact Mass: 2370.99
• IUPAC Name: 5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
• SMILES: CC(C)Oc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.COc1cc(N2CCC(N3CCC(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(C)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2S(=O)(=O)C(C)C)n1
• InChI: InChI=1S/C32H45ClN7O4PS.C31H43ClN7O2P.C30H40ClN6O2P.C23H29N4O4PS/c1-22(2)46(42,43)30-19-24(39-13-11-23(12-14-39)40-17-15-38(3)16-18-40)7-9-28(30)35-31-26(33)21-34-32(37-31)36-27-10-8-25(45(5,6)41)20-29(27)44-4;1-22(2)41-28-20-24(38-14-12-23(13-15-38)39-18-16-37(3)17-19-39)10-11-26(28)35-31-33-21-25(32)30(36-31)34-27-8-6-7-9-29(27)42(4,5)40;1-21-11-15-36(16-12-21)22-13-17-37(18-14-22)23-9-10-25(27(19-23)39-2)34-30-32-20-24(31)29(35-30)33-26-7-5-6-8-28(26)40(3,4)38;1-15(2)33(29,30)21-10-8-7-9-19(21)25-22-16(3)14-24-23(27-22)26-18-12-11-17(32(5,6)28)13-20(18)31-4/h7-10,19-23H,11-18H2,1-6H3,(H2,34,35,36,37);6-11,20-23H,12-19H2,1-5H3,(H2,33,34,35,36);5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35);7-15H,1-6H3,(H2,24,25,26,27)
• InChIKey: HRBOYJHEVZMSCS-UHFFFAOYSA-N
• XLogP: 22.43
• TPSA: 398.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 35
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2374.08
LogP ≤ 5	22.43
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The IUPAC name of 5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (CID 158562660) is 5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The canonical SMILES for 5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is CC(C)Oc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.COc1cc(N2CCC(N3CCC(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(C)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2S(=O)(=O)C(C)C)n1.

What is the InChIKey of 5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The InChIKey is HRBOYJHEVZMSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45ClN7O4PS.C31H43ClN7O2P.C30H40ClN6O2P.C23H29N4O4PS/c1-22(2)46(42,43)30-19-24(39-13-11-23(12-14-39)40-17-15-38(3)16-18-40)7-9-28(30)35-31-26(33)21-34-32(37-31)36-27-10-8-25(45(5,6)41)20-29(27)44-4;1-22(2)41-28-20-24(38-14-12-23(13-15-38)39-18-16-37(3)17-19-39)10-11-26(28)35-31-33-21-25(32)30(36-31)34-27-8-6-7-9-29(27)42(4,5)40;1-21-11-15-36(16-12-21)22-13-17-37(18-14-22)23-9-10-25(27(19-23)39-2)34-30-32-20-24(31)29(35-30)33-26-7-5-6-8-28(26)40(3,4)38;1-15(2)33(29,30)21-10-8-7-9-19(21)25-22-16(3)14-24-23(27-22)26-18-12-11-17(32(5,6)28)13-20(18)31-4/h7-10,19-23H,11-18H2,1-6H3,(H2,34,35,36,37);6-11,20-23H,12-19H2,1-5H3,(H2,33,34,35,36);5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35);7-15H,1-6H3,(H2,24,25,26,27).

What are the key properties of 5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 2374.08 g/mol, XLogP of 22.43, 35 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 158562660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).