1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methylpiperidine-4-carboxamide;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethoxy)benzamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-(1-chloroethenyl)-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

C116H135Cl5F3N24O18P5S2 — CID 162170444

About 1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methylpiperidine-4-carboxamide;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethoxy)benzamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-(1-chloroethenyl)-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methylpiperidine-4-carboxamide;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethoxy)benzamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-(1-chloroethenyl)-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 162170444) has the molecular formula C116H135Cl5F3N24O18P5S2 and a molecular weight of 2606.77 g/mol. Its IUPAC name is 1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methylpiperidine-4-carboxamide;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethoxy)benzamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-(1-chloroethenyl)-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methylpiperidine-4-carboxamide;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethoxy)benzamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-(1-chloroethenyl)-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
• PubChem CID: 162170444
• Molecular Formula: C116H135Cl5F3N24O18P5S2
• Molecular Weight: 2606.77 g/mol
• Exact Mass: 2602.69
• IUPAC Name: 1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methylpiperidine-4-carboxamide;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethoxy)benzamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-(1-chloroethenyl)-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
• SMILES: C=C(Cl)c1cnc(Nc2ccc(P(C)(C)=O)cc2OC)nc1Nc1ccccc1S(=O)(=O)C(C)C.CCN(CC)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(P(C)(C)=O)cc2OC)ncc1Cl.CNC(=O)C1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4P(C)(C)=O)n3)c(OC)c2)CC1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccc(C(N)=O)cc2OC(F)(F)F)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2OC(C)C)n1
• InChI: InChI=1S/C26H32ClN6O3P.C24H28ClN4O4PS.C23H29ClN5O4PS.C22H26ClN4O3P.C21H20ClF3N5O4P/c1-28-25(34)17-11-13-33(14-12-17)18-9-10-20(22(15-18)36-2)31-26-29-16-19(27)24(32-26)30-21-7-5-6-8-23(21)37(3,4)35;1-15(2)35(31,32)22-10-8-7-9-20(22)27-23-18(16(3)25)14-26-24(29-23)28-19-12-11-17(34(5,6)30)13-21(19)33-4;1-6-29(7-2)35(31,32)21-11-9-8-10-19(21)26-22-17(24)15-25-23(28-22)27-18-13-12-16(34(4,5)30)14-20(18)33-3;1-14(2)30-19-9-7-6-8-17(19)25-21-16(23)13-24-22(27-21)26-18-11-10-15(31(4,5)28)12-20(18)29-3;1-33-16-9-12(35(2,3)32)5-7-14(16)29-20-27-10-13(22)19(30-20)28-15-6-4-11(18(26)31)8-17(15)34-21(23,24)25/h5-10,15-17H,11-14H2,1-4H3,(H,28,34)(H2,29,30,31,32);7-15H,3H2,1-2,4-6H3,(H2,26,27,28,29);8-15H,6-7H2,1-5H3,(H2,25,26,27,28);6-14H,1-5H3,(H2,24,25,26,27);4-10H,1-3H3,(H2,26,31)(H2,27,28,29,30)
• InChIKey: ZNSGEUOSJKTSTM-UHFFFAOYSA-N
• XLogP: 25.88
• TPSA: 546.11 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 39
• Rotatable Bonds: 43
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2606.77
LogP ≤ 5	25.88
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methylpiperidine-4-carboxamide;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethoxy)benzamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-(1-chloroethenyl)-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The IUPAC name of 1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methylpiperidine-4-carboxamide;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethoxy)benzamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-(1-chloroethenyl)-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (CID 162170444) is 1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methylpiperidine-4-carboxamide;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethoxy)benzamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-(1-chloroethenyl)-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methylpiperidine-4-carboxamide;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethoxy)benzamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-(1-chloroethenyl)-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The canonical SMILES for 1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methylpiperidine-4-carboxamide;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethoxy)benzamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-(1-chloroethenyl)-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is C=C(Cl)c1cnc(Nc2ccc(P(C)(C)=O)cc2OC)nc1Nc1ccccc1S(=O)(=O)C(C)C.CCN(CC)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(P(C)(C)=O)cc2OC)ncc1Cl.CNC(=O)C1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4P(C)(C)=O)n3)c(OC)c2)CC1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccc(C(N)=O)cc2OC(F)(F)F)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2OC(C)C)n1.

What is the InChIKey of 1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methylpiperidine-4-carboxamide;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethoxy)benzamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-(1-chloroethenyl)-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The InChIKey is ZNSGEUOSJKTSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN6O3P.C24H28ClN4O4PS.C23H29ClN5O4PS.C22H26ClN4O3P.C21H20ClF3N5O4P/c1-28-25(34)17-11-13-33(14-12-17)18-9-10-20(22(15-18)36-2)31-26-29-16-19(27)24(32-26)30-21-7-5-6-8-23(21)37(3,4)35;1-15(2)35(31,32)22-10-8-7-9-20(22)27-23-18(16(3)25)14-26-24(29-23)28-19-12-11-17(34(5,6)30)13-21(19)33-4;1-6-29(7-2)35(31,32)21-11-9-8-10-19(21)26-22-17(24)15-25-23(28-22)27-18-13-12-16(34(4,5)30)14-20(18)33-3;1-14(2)30-19-9-7-6-8-17(19)25-21-16(23)13-24-22(27-21)26-18-11-10-15(31(4,5)28)12-20(18)29-3;1-33-16-9-12(35(2,3)32)5-7-14(16)29-20-27-10-13(22)19(30-20)28-15-6-4-11(18(26)31)8-17(15)34-21(23,24)25/h5-10,15-17H,11-14H2,1-4H3,(H,28,34)(H2,29,30,31,32);7-15H,3H2,1-2,4-6H3,(H2,26,27,28,29);8-15H,6-7H2,1-5H3,(H2,25,26,27,28);6-14H,1-5H3,(H2,24,25,26,27);4-10H,1-3H3,(H2,26,31)(H2,27,28,29,30).

What are the key properties of 1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methylpiperidine-4-carboxamide;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethoxy)benzamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-(1-chloroethenyl)-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methylpiperidine-4-carboxamide;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethoxy)benzamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-(1-chloroethenyl)-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 2606.77 g/mol, XLogP of 25.88, 43 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-N-methylpiperidine-4-carboxamide;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethoxy)benzamide;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-(1-chloroethenyl)-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 162170444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).