4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;5-chloro-6-N-(4-dimethylphosphoryl-2-methoxyphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1,2-dihydropyrimidine-2,6-diamine;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;2-(dimethylamino)-1-[6-[[4-(2-dimethylphosphorylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]ethanone

C103H129Cl3N24O12P4 — CID 158384790

About 4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;5-chloro-6-N-(4-dimethylphosphoryl-2-methoxyphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1,2-dihydropyrimidine-2,6-diamine;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;2-(dimethylamino)-1-[6-[[4-(2-dimethylphosphorylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]ethanone

4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;5-chloro-6-N-(4-dimethylphosphoryl-2-methoxyphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1,2-dihydropyrimidine-2,6-diamine;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;2-(dimethylamino)-1-[6-[[4-(2-dimethylphosphorylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]ethanone (PubChem CID 158384790) has the molecular formula C103H129Cl3N24O12P4 and a molecular weight of 2125.58 g/mol. Its IUPAC name is 4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;5-chloro-6-N-(4-dimethylphosphoryl-2-methoxyphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1,2-dihydropyrimidine-2,6-diamine;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;2-(dimethylamino)-1-[6-[[4-(2-dimethylphosphorylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

• Compound Name: 4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;5-chloro-6-N-(4-dimethylphosphoryl-2-methoxyphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1,2-dihydropyrimidine-2,6-diamine;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;2-(dimethylamino)-1-[6-[[4-(2-dimethylphosphorylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]ethanone
• PubChem CID: 158384790
• Molecular Formula: C103H129Cl3N24O12P4
• Molecular Weight: 2125.58 g/mol
• Exact Mass: 2122.82
• IUPAC Name: 4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;5-chloro-6-N-(4-dimethylphosphoryl-2-methoxyphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1,2-dihydropyrimidine-2,6-diamine;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;2-(dimethylamino)-1-[6-[[4-(2-dimethylphosphorylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]ethanone
• SMILES: COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.COc1cc(P(C)(C)=O)ccc1NC1=C(Cl)C=NC(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2OC)N1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2OC)n1.COc1cc2c(cc1Nc1nc(Nc3ccccc3P(C)(C)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2
• InChI: InChI=1S/C30H43ClN7O3P.C27H32N7O3P.C26H32ClN6O3P.C20H22ClN4O3P/c1-36-14-16-38(17-15-36)21-10-12-37(13-11-21)22-6-8-26(27(18-22)40-2)34-30-32-20-24(31)29(35-30)33-25-9-7-23(42(4,5)39)19-28(25)41-3;1-33(2)16-24(35)34-13-11-17-14-22(37-3)20(15-21(17)34)30-27-31-25-18(10-12-28-25)26(32-27)29-19-8-6-7-9-23(19)38(4,5)36;1-33-13-11-18(12-14-33)29-25(34)17-9-10-20(22(15-17)36-2)31-26-28-16-19(27)24(32-26)30-21-7-5-6-8-23(21)37(3,4)35;1-27-17-8-6-5-7-15(17)23-19-14(21)12-22-20(25-19)24-16-10-9-13(29(3,4)26)11-18(16)28-2/h6-9,18-21,30,33-35H,10-17H2,1-5H3;6-10,12,14-15H,11,13,16H2,1-5H3,(H3,28,29,30,31,32);5-10,15-16,18H,11-14H2,1-4H3,(H,29,34)(H2,28,30,31,32);5-12H,1-4H3,(H2,22,23,24,25)
• InChIKey: VZVGKKXGXQZDGP-UHFFFAOYSA-N
• XLogP: 17.79
• TPSA: 403.03 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2125.58
LogP ≤ 5	17.79
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;5-chloro-6-N-(4-dimethylphosphoryl-2-methoxyphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1,2-dihydropyrimidine-2,6-diamine;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;2-(dimethylamino)-1-[6-[[4-(2-dimethylphosphorylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]ethanone?

The IUPAC name of 4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;5-chloro-6-N-(4-dimethylphosphoryl-2-methoxyphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1,2-dihydropyrimidine-2,6-diamine;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;2-(dimethylamino)-1-[6-[[4-(2-dimethylphosphorylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]ethanone (CID 158384790) is 4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;5-chloro-6-N-(4-dimethylphosphoryl-2-methoxyphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1,2-dihydropyrimidine-2,6-diamine;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;2-(dimethylamino)-1-[6-[[4-(2-dimethylphosphorylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]ethanone.

What is the SMILES notation for 4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;5-chloro-6-N-(4-dimethylphosphoryl-2-methoxyphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1,2-dihydropyrimidine-2,6-diamine;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;2-(dimethylamino)-1-[6-[[4-(2-dimethylphosphorylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]ethanone?

The canonical SMILES for 4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;5-chloro-6-N-(4-dimethylphosphoryl-2-methoxyphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1,2-dihydropyrimidine-2,6-diamine;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;2-(dimethylamino)-1-[6-[[4-(2-dimethylphosphorylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]ethanone is COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.COc1cc(P(C)(C)=O)ccc1NC1=C(Cl)C=NC(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2OC)N1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2OC)n1.COc1cc2c(cc1Nc1nc(Nc3ccccc3P(C)(C)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2.

What is the InChIKey of 4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;5-chloro-6-N-(4-dimethylphosphoryl-2-methoxyphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1,2-dihydropyrimidine-2,6-diamine;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;2-(dimethylamino)-1-[6-[[4-(2-dimethylphosphorylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]ethanone?

The InChIKey is VZVGKKXGXQZDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43ClN7O3P.C27H32N7O3P.C26H32ClN6O3P.C20H22ClN4O3P/c1-36-14-16-38(17-15-36)21-10-12-37(13-11-21)22-6-8-26(27(18-22)40-2)34-30-32-20-24(31)29(35-30)33-25-9-7-23(42(4,5)39)19-28(25)41-3;1-33(2)16-24(35)34-13-11-17-14-22(37-3)20(15-21(17)34)30-27-31-25-18(10-12-28-25)26(32-27)29-19-8-6-7-9-23(19)38(4,5)36;1-33-13-11-18(12-14-33)29-25(34)17-9-10-20(22(15-17)36-2)31-26-28-16-19(27)24(32-26)30-21-7-5-6-8-23(21)37(3,4)35;1-27-17-8-6-5-7-15(17)23-19-14(21)12-22-20(25-19)24-16-10-9-13(29(3,4)26)11-18(16)28-2/h6-9,18-21,30,33-35H,10-17H2,1-5H3;6-10,12,14-15H,11,13,16H2,1-5H3,(H3,28,29,30,31,32);5-10,15-16,18H,11-14H2,1-4H3,(H,29,34)(H2,28,30,31,32);5-12H,1-4H3,(H2,22,23,24,25).

What are the key properties of 4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;5-chloro-6-N-(4-dimethylphosphoryl-2-methoxyphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1,2-dihydropyrimidine-2,6-diamine;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;2-(dimethylamino)-1-[6-[[4-(2-dimethylphosphorylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]ethanone?

4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;5-chloro-6-N-(4-dimethylphosphoryl-2-methoxyphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1,2-dihydropyrimidine-2,6-diamine;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;2-(dimethylamino)-1-[6-[[4-(2-dimethylphosphorylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 2125.58 g/mol, XLogP of 17.79, 32 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;5-chloro-6-N-(4-dimethylphosphoryl-2-methoxyphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1,2-dihydropyrimidine-2,6-diamine;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;2-(dimethylamino)-1-[6-[[4-(2-dimethylphosphorylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-methoxy-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 158384790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).