4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-N-methylpiperazine-1-carboxamide;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

C83H107Cl3N19O8P3 — CID 159474309

About 4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-N-methylpiperazine-1-carboxamide;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-N-methylpiperazine-1-carboxamide;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 159474309) has the molecular formula C83H107Cl3N19O8P3 and a molecular weight of 1698.17 g/mol. Its IUPAC name is 4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-N-methylpiperazine-1-carboxamide;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-N-methylpiperazine-1-carboxamide;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
• PubChem CID: 159474309
• Molecular Formula: C83H107Cl3N19O8P3
• Molecular Weight: 1698.17 g/mol
• Exact Mass: 1695.68
• IUPAC Name: 4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-N-methylpiperazine-1-carboxamide;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
• SMILES: CNC(=O)N1CCN(C2CCN(c3ccc(Nc4ncc(Cl)c(Nc5ccccc5P(C)(C)=O)n4)c(OC)c3)CC2)CC1.COc1cc(C2CCN(C3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
• InChI: InChI=1S/C30H40ClN8O3P.C30H40ClN6O2P.C23H27ClN5O3P/c1-32-30(40)39-17-15-38(16-18-39)21-11-13-37(14-12-21)22-9-10-24(26(19-22)42-2)35-29-33-20-23(31)28(36-29)34-25-7-5-6-8-27(25)43(3,4)41;1-36-15-13-23(14-16-36)37-17-11-21(12-18-37)22-9-10-25(27(19-22)39-2)34-30-32-20-24(31)29(35-30)33-26-7-5-6-8-28(26)40(3,4)38;1-31-20-14-16(29-10-12-32-13-11-29)8-9-18(20)27-23-25-15-17(24)22(28-23)26-19-6-4-5-7-21(19)33(2,3)30/h5-10,19-21H,11-18H2,1-4H3,(H,32,40)(H2,33,34,35,36);5-10,19-21,23H,11-18H2,1-4H3,(H2,32,33,34,35);4-9,14-15H,10-13H2,1-3H3,(H2,25,26,27,28)
• InChIKey: LWELYGFIXLXMNM-UHFFFAOYSA-N
• XLogP: 15.66
• TPSA: 286.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1698.17
LogP ≤ 5	15.66
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-N-methylpiperazine-1-carboxamide;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?

The IUPAC name of 4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-N-methylpiperazine-1-carboxamide;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (CID 159474309) is 4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-N-methylpiperazine-1-carboxamide;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-N-methylpiperazine-1-carboxamide;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?

The canonical SMILES for 4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-N-methylpiperazine-1-carboxamide;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is CNC(=O)N1CCN(C2CCN(c3ccc(Nc4ncc(Cl)c(Nc5ccccc5P(C)(C)=O)n4)c(OC)c3)CC2)CC1.COc1cc(C2CCN(C3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.

What is the InChIKey of 4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-N-methylpiperazine-1-carboxamide;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?

The InChIKey is LWELYGFIXLXMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40ClN8O3P.C30H40ClN6O2P.C23H27ClN5O3P/c1-32-30(40)39-17-15-38(16-18-39)21-11-13-37(14-12-21)22-9-10-24(26(19-22)42-2)35-29-33-20-23(31)28(36-29)34-25-7-5-6-8-27(25)43(3,4)41;1-36-15-13-23(14-16-36)37-17-11-21(12-18-37)22-9-10-25(27(19-22)39-2)34-30-32-20-24(31)29(35-30)33-26-7-5-6-8-28(26)40(3,4)38;1-31-20-14-16(29-10-12-32-13-11-29)8-9-18(20)27-23-25-15-17(24)22(28-23)26-19-6-4-5-7-21(19)33(2,3)30/h5-10,19-21H,11-18H2,1-4H3,(H,32,40)(H2,33,34,35,36);5-10,19-21,23H,11-18H2,1-4H3,(H2,32,33,34,35);4-9,14-15H,10-13H2,1-3H3,(H2,25,26,27,28).

What are the key properties of 4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-N-methylpiperazine-1-carboxamide;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?

4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-N-methylpiperazine-1-carboxamide;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 1698.17 g/mol, XLogP of 15.66, 23 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-N-methylpiperazine-1-carboxamide;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 159474309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).