4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethyl)benzonitrile;5-chloro-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-(2-methoxy-4-morpholin-4-ylphenoxy)pyrimidin-2-amine;5-chloro-4-N-(3-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-2-N-phenyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

C115H131Cl4F3N24O15P4S2 — CID 159494148

About 4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethyl)benzonitrile;5-chloro-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-(2-methoxy-4-morpholin-4-ylphenoxy)pyrimidin-2-amine;5-chloro-4-N-(3-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-2-N-phenyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethyl)benzonitrile;5-chloro-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-(2-methoxy-4-morpholin-4-ylphenoxy)pyrimidin-2-amine;5-chloro-4-N-(3-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-2-N-phenyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 159494148) has the molecular formula C115H131Cl4F3N24O15P4S2 and a molecular weight of 2476.30 g/mol. Its IUPAC name is 4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethyl)benzonitrile;5-chloro-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-(2-methoxy-4-morpholin-4-ylphenoxy)pyrimidin-2-amine;5-chloro-4-N-(3-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-2-N-phenyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethyl)benzonitrile;5-chloro-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-(2-methoxy-4-morpholin-4-ylphenoxy)pyrimidin-2-amine;5-chloro-4-N-(3-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-2-N-phenyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
• PubChem CID: 159494148
• Molecular Formula: C115H131Cl4F3N24O15P4S2
• Molecular Weight: 2476.30 g/mol
• Exact Mass: 2472.73
• IUPAC Name: 4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethyl)benzonitrile;5-chloro-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-(2-methoxy-4-morpholin-4-ylphenoxy)pyrimidin-2-amine;5-chloro-4-N-(3-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-2-N-phenyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
• SMILES: CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1Cl.COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2cccc(P(C)(C)=O)c2)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccc(C#N)cc2C(F)(F)F)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Oc2ccc(N3CCOCC3)cc2OC)n1.COc1cc(P(C)(C)=O)ccc1Nc1nccc(Nc2ccccc2S(=O)(=O)C(C)C)n1
• InChI: InChI=1S/C29H39ClN7O2P.C24H28ClN4O5P.C22H27N4O4PS.C21H18ClF3N5O2P.C19H19ClN4O2S/c1-35-14-16-37(17-15-35)22-10-12-36(13-11-22)23-8-9-26(27(19-23)39-2)33-29-31-20-25(30)28(34-29)32-21-6-5-7-24(18-21)40(3,4)38;1-31-21-14-17(35(3,4)30)6-7-19(21)27-24-26-15-18(25)23(28-24)34-20-8-5-16(13-22(20)32-2)29-9-11-33-12-10-29;1-15(2)32(28,29)20-9-7-6-8-18(20)24-21-12-13-23-22(26-21)25-17-11-10-16(31(4,5)27)14-19(17)30-3;1-32-18-9-13(33(2,3)31)5-7-17(18)29-20-27-11-15(22)19(30-20)28-16-6-4-12(10-26)8-14(16)21(23,24)25;1-13(2)27(25,26)17-11-7-6-10-16(17)23-18-15(20)12-21-19(24-18)22-14-8-4-3-5-9-14/h5-9,18-20,22H,10-17H2,1-4H3,(H2,31,32,33,34);5-8,13-15H,9-12H2,1-4H3,(H,26,27,28);6-15H,1-5H3,(H2,23,24,25,26);4-9,11H,1-3H3,(H2,27,28,29,30);3-13H,1-2H3,(H2,21,22,23,24)
• InChIKey: LYOKUTJIKRUPGW-UHFFFAOYSA-N
• XLogP: 24.82
• TPSA: 475.09 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 36
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2476.30
LogP ≤ 5	24.82
H-Bond Donors ≤ 5	9
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 4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethyl)benzonitrile;5-chloro-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-(2-methoxy-4-morpholin-4-ylphenoxy)pyrimidin-2-amine;5-chloro-4-N-(3-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-2-N-phenyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The IUPAC name of 4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethyl)benzonitrile;5-chloro-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-(2-methoxy-4-morpholin-4-ylphenoxy)pyrimidin-2-amine;5-chloro-4-N-(3-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-2-N-phenyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (CID 159494148) is 4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethyl)benzonitrile;5-chloro-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-(2-methoxy-4-morpholin-4-ylphenoxy)pyrimidin-2-amine;5-chloro-4-N-(3-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-2-N-phenyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethyl)benzonitrile;5-chloro-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-(2-methoxy-4-morpholin-4-ylphenoxy)pyrimidin-2-amine;5-chloro-4-N-(3-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-2-N-phenyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The canonical SMILES for 4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethyl)benzonitrile;5-chloro-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-(2-methoxy-4-morpholin-4-ylphenoxy)pyrimidin-2-amine;5-chloro-4-N-(3-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-2-N-phenyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1Cl.COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2cccc(P(C)(C)=O)c2)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccc(C#N)cc2C(F)(F)F)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Oc2ccc(N3CCOCC3)cc2OC)n1.COc1cc(P(C)(C)=O)ccc1Nc1nccc(Nc2ccccc2S(=O)(=O)C(C)C)n1.

What is the InChIKey of 4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethyl)benzonitrile;5-chloro-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-(2-methoxy-4-morpholin-4-ylphenoxy)pyrimidin-2-amine;5-chloro-4-N-(3-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-2-N-phenyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The InChIKey is LYOKUTJIKRUPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39ClN7O2P.C24H28ClN4O5P.C22H27N4O4PS.C21H18ClF3N5O2P.C19H19ClN4O2S/c1-35-14-16-37(17-15-35)22-10-12-36(13-11-22)23-8-9-26(27(19-23)39-2)33-29-31-20-25(30)28(34-29)32-21-6-5-7-24(18-21)40(3,4)38;1-31-21-14-17(35(3,4)30)6-7-19(21)27-24-26-15-18(25)23(28-24)34-20-8-5-16(13-22(20)32-2)29-9-11-33-12-10-29;1-15(2)32(28,29)20-9-7-6-8-18(20)24-21-12-13-23-22(26-21)25-17-11-10-16(31(4,5)27)14-19(17)30-3;1-32-18-9-13(33(2,3)31)5-7-17(18)29-20-27-11-15(22)19(30-20)28-16-6-4-12(10-26)8-14(16)21(23,24)25;1-13(2)27(25,26)17-11-7-6-10-16(17)23-18-15(20)12-21-19(24-18)22-14-8-4-3-5-9-14/h5-9,18-20,22H,10-17H2,1-4H3,(H2,31,32,33,34);5-8,13-15H,9-12H2,1-4H3,(H,26,27,28);6-15H,1-5H3,(H2,23,24,25,26);4-9,11H,1-3H3,(H2,27,28,29,30);3-13H,1-2H3,(H2,21,22,23,24).

What are the key properties of 4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethyl)benzonitrile;5-chloro-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-(2-methoxy-4-morpholin-4-ylphenoxy)pyrimidin-2-amine;5-chloro-4-N-(3-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-2-N-phenyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?

4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethyl)benzonitrile;5-chloro-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-(2-methoxy-4-morpholin-4-ylphenoxy)pyrimidin-2-amine;5-chloro-4-N-(3-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-2-N-phenyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 2476.30 g/mol, XLogP of 24.82, 36 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-(trifluoromethyl)benzonitrile;5-chloro-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-(2-methoxy-4-morpholin-4-ylphenoxy)pyrimidin-2-amine;5-chloro-4-N-(3-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-2-N-phenyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 159494148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).