4-N-(3-bromophenyl)-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;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]benzenesulfinate;2-N-(4-dimethylphosphorylphenyl)-4-N-(3-methylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;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;1-methylpiperazine

C120H129BrCl2F12N27O10P6S- — CID 158955942

About 4-N-(3-bromophenyl)-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;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]benzenesulfinate;2-N-(4-dimethylphosphorylphenyl)-4-N-(3-methylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;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;1-methylpiperazine

4-N-(3-bromophenyl)-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;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]benzenesulfinate;2-N-(4-dimethylphosphorylphenyl)-4-N-(3-methylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;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;1-methylpiperazine (PubChem CID 158955942) has the molecular formula C120H129BrCl2F12N27O10P6S- and a molecular weight of 2706.23 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-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;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]benzenesulfinate;2-N-(4-dimethylphosphorylphenyl)-4-N-(3-methylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;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;1-methylpiperazine.

Molecular Properties

• Compound Name: 4-N-(3-bromophenyl)-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;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]benzenesulfinate;2-N-(4-dimethylphosphorylphenyl)-4-N-(3-methylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;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;1-methylpiperazine
• PubChem CID: 158955942
• Molecular Formula: C120H129BrCl2F12N27O10P6S-
• Molecular Weight: 2706.23 g/mol
• Exact Mass: 2702.69
• IUPAC Name: 4-N-(3-bromophenyl)-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;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]benzenesulfinate;2-N-(4-dimethylphosphorylphenyl)-4-N-(3-methylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;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;1-methylpiperazine
• SMILES: CCC(CC)Nc1nc(Nc2ccc(P(C)(C)=O)cc2)ncc1C(F)(F)F.CN1CCNCC1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)[O-])n1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3cccc(Br)c3)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.Cc1cccc(Nc2nc(Nc3ccc(P(C)(C)=O)cc3)ncc2C(F)(F)F)c1
• InChI: InChI=1S/C20H19ClN5O2P.C20H20F3N4OP.C19H17BrF3N4OP.C19H20ClN4O4PS.C19H18F3N4OP.C18H24F3N4OP.C5H12N2/c1-29(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;1-13-5-4-6-15(11-13)25-18-17(20(21,22)23)12-24-19(27-18)26-14-7-9-16(10-8-14)29(2,3)28;1-29(2,28)15-8-6-13(7-9-15)26-18-24-11-16(19(21,22)23)17(27-18)25-14-5-3-4-12(20)10-14;1-28-16-10-12(29(2,3)25)8-9-14(16)23-19-21-11-13(20)18(24-19)22-15-6-4-5-7-17(15)30(26)27;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;1-7-4-2-6-3-5-7/h3-9,11H,10H2,1-2H3,(H,24,27)(H2,22,23,25,26);4-12H,1-3H3,(H2,24,25,26,27);3-11H,1-2H3,(H2,24,25,26,27);4-11H,1-3H3,(H,26,27)(H2,21,22,23,24);3-12H,1-2H3,(H2,23,24,25,26);7-12H,5-6H2,1-4H3,(H2,22,23,24,25);6H,2-5H2,1H3/p-1
• InChIKey: PVHMCIRDLCTDQF-UHFFFAOYSA-M
• XLogP: 29.84
• TPSA: 495.19 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 36
• Rotatable Bonds: 34
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2706.23
LogP ≤ 5	29.84
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-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;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]benzenesulfinate;2-N-(4-dimethylphosphorylphenyl)-4-N-(3-methylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;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;1-methylpiperazine?

The IUPAC name of 4-N-(3-bromophenyl)-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;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]benzenesulfinate;2-N-(4-dimethylphosphorylphenyl)-4-N-(3-methylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;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;1-methylpiperazine (CID 158955942) is 4-N-(3-bromophenyl)-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;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]benzenesulfinate;2-N-(4-dimethylphosphorylphenyl)-4-N-(3-methylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;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;1-methylpiperazine.

What is the SMILES notation for 4-N-(3-bromophenyl)-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;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]benzenesulfinate;2-N-(4-dimethylphosphorylphenyl)-4-N-(3-methylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;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;1-methylpiperazine?

The canonical SMILES for 4-N-(3-bromophenyl)-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;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]benzenesulfinate;2-N-(4-dimethylphosphorylphenyl)-4-N-(3-methylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;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;1-methylpiperazine is CCC(CC)Nc1nc(Nc2ccc(P(C)(C)=O)cc2)ncc1C(F)(F)F.CN1CCNCC1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)[O-])n1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3cccc(Br)c3)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.Cc1cccc(Nc2nc(Nc3ccc(P(C)(C)=O)cc3)ncc2C(F)(F)F)c1.

What is the InChIKey of 4-N-(3-bromophenyl)-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;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]benzenesulfinate;2-N-(4-dimethylphosphorylphenyl)-4-N-(3-methylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;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;1-methylpiperazine?

The InChIKey is PVHMCIRDLCTDQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H19ClN5O2P.C20H20F3N4OP.C19H17BrF3N4OP.C19H20ClN4O4PS.C19H18F3N4OP.C18H24F3N4OP.C5H12N2/c1-29(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;1-13-5-4-6-15(11-13)25-18-17(20(21,22)23)12-24-19(27-18)26-14-7-9-16(10-8-14)29(2,3)28;1-29(2,28)15-8-6-13(7-9-15)26-18-24-11-16(19(21,22)23)17(27-18)25-14-5-3-4-12(20)10-14;1-28-16-10-12(29(2,3)25)8-9-14(16)23-19-21-11-13(20)18(24-19)22-15-6-4-5-7-17(15)30(26)27;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;1-7-4-2-6-3-5-7/h3-9,11H,10H2,1-2H3,(H,24,27)(H2,22,23,25,26);4-12H,1-3H3,(H2,24,25,26,27);3-11H,1-2H3,(H2,24,25,26,27);4-11H,1-3H3,(H,26,27)(H2,21,22,23,24);3-12H,1-2H3,(H2,23,24,25,26);7-12H,5-6H2,1-4H3,(H2,22,23,24,25);6H,2-5H2,1H3/p-1.

What are the key properties of 4-N-(3-bromophenyl)-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;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]benzenesulfinate;2-N-(4-dimethylphosphorylphenyl)-4-N-(3-methylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;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;1-methylpiperazine?

4-N-(3-bromophenyl)-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;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]benzenesulfinate;2-N-(4-dimethylphosphorylphenyl)-4-N-(3-methylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;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;1-methylpiperazine has a molecular weight of 2706.23 g/mol, XLogP of 29.84, 34 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(3-bromophenyl)-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;2-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]benzenesulfinate;2-N-(4-dimethylphosphorylphenyl)-4-N-(3-methylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;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;1-methylpiperazine is sourced from PubChem (CID 158955942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).