4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C98H99ClF12N21O9P5 — CID 160729995

About 4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 160729995) has the molecular formula C98H99ClF12N21O9P5 and a molecular weight of 2133.31 g/mol. Its IUPAC name is 4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
• PubChem CID: 160729995
• Molecular Formula: C98H99ClF12N21O9P5
• Molecular Weight: 2133.31 g/mol
• Exact Mass: 2131.61
• IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
• SMILES: CC(=O)c1cccc(Nc2nc(Nc3ccc(P(C)(C)=O)cc3)ncc2C(F)(F)F)c1.CCC(CC)Nc1nc(Nc2ccc(P(C)(C)=O)cc2)ncc1C(F)(F)F.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc4c(c3)OCO4)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3)n2)cc1.CP(C)(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1Cl
• InChI: InChI=1S/C21H20F3N4O2P.C20H19ClN5O2P.C20H18F3N4O3P.C19H18F3N4OP.C18H24F3N4OP/c1-13(29)14-5-4-6-16(11-14)26-19-18(21(22,23)24)12-25-20(28-19)27-15-7-9-17(10-8-15)31(2,3)30;1-29(2,28)17-6-4-3-5-16(17)25-19-14(21)11-22-20(26-19)23-13-7-8-15-12(9-13)10-18(27)24-15;1-31(2,28)14-6-3-12(4-7-14)26-19-24-10-15(20(21,22)23)18(27-19)25-13-5-8-16-17(9-13)30-11-29-16;1-28(2,27)15-10-8-14(9-11-15)25-18-23-12-16(19(20,21)22)17(26-18)24-13-6-4-3-5-7-13;1-5-12(6-2)23-16-15(18(19,20)21)11-22-17(25-16)24-13-7-9-14(10-8-13)27(3,4)26/h4-12H,1-3H3,(H2,25,26,27,28);3-9,11H,10H2,1-2H3,(H,24,27)(H2,22,23,25,26);3-10H,11H2,1-2H3,(H2,24,25,26,27);3-12H,1-2H3,(H2,23,24,25,26);7-12H,5-6H2,1-4H3,(H2,22,23,24,25)
• InChIKey: RUFBNCCVIXWFIF-UHFFFAOYSA-N
• XLogP: 25.07
• TPSA: 399.18 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2133.31
LogP ≤ 5	25.07
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The IUPAC name of 4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 160729995) is 4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CC(=O)c1cccc(Nc2nc(Nc3ccc(P(C)(C)=O)cc3)ncc2C(F)(F)F)c1.CCC(CC)Nc1nc(Nc2ccc(P(C)(C)=O)cc2)ncc1C(F)(F)F.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc4c(c3)OCO4)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3)n2)cc1.CP(C)(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1Cl.

What is the InChIKey of 4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The InChIKey is RUFBNCCVIXWFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N4O2P.C20H19ClN5O2P.C20H18F3N4O3P.C19H18F3N4OP.C18H24F3N4OP/c1-13(29)14-5-4-6-16(11-14)26-19-18(21(22,23)24)12-25-20(28-19)27-15-7-9-17(10-8-15)31(2,3)30;1-29(2,28)17-6-4-3-5-16(17)25-19-14(21)11-22-20(26-19)23-13-7-8-15-12(9-13)10-18(27)24-15;1-31(2,28)14-6-3-12(4-7-14)26-19-24-10-15(20(21,22)23)18(27-19)25-13-5-8-16-17(9-13)30-11-29-16;1-28(2,27)15-10-8-14(9-11-15)25-18-23-12-16(19(20,21)22)17(26-18)24-13-6-4-3-5-7-13;1-5-12(6-2)23-16-15(18(19,20)21)11-22-17(25-16)24-13-7-9-14(10-8-13)27(3,4)26/h4-12H,1-3H3,(H2,25,26,27,28);3-9,11H,10H2,1-2H3,(H,24,27)(H2,22,23,25,26);3-10H,11H2,1-2H3,(H2,24,25,26,27);3-12H,1-2H3,(H2,23,24,25,26);7-12H,5-6H2,1-4H3,(H2,22,23,24,25).

What are the key properties of 4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?

4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 2133.31 g/mol, XLogP of 25.07, 28 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 160729995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).