dipotassium;sodium;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-phenylpyrimidine-2,4-diamine;2-chloro-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2,5-dichloro-N-phenylpyrimidin-4-amine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;hydride;methane;oxido formate;2,4,5-trichloropyrimidine

C78H79Cl9F9K2N18NaO11P2S2 — CID 158391601

About dipotassium;sodium;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-phenylpyrimidine-2,4-diamine;2-chloro-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2,5-dichloro-N-phenylpyrimidin-4-amine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;hydride;methane;oxido formate;2,4,5-trichloropyrimidine

dipotassium;sodium;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-phenylpyrimidine-2,4-diamine;2-chloro-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2,5-dichloro-N-phenylpyrimidin-4-amine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;hydride;methane;oxido formate;2,4,5-trichloropyrimidine (PubChem CID 158391601) has the molecular formula C78H79Cl9F9K2N18NaO11P2S2 and a molecular weight of 2161.93 g/mol. Its IUPAC name is dipotassium;sodium;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-phenylpyrimidine-2,4-diamine;2-chloro-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2,5-dichloro-N-phenylpyrimidin-4-amine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;hydride;methane;oxido formate;2,4,5-trichloropyrimidine.

Molecular Properties

• Compound Name: dipotassium;sodium;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-phenylpyrimidine-2,4-diamine;2-chloro-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2,5-dichloro-N-phenylpyrimidin-4-amine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;hydride;methane;oxido formate;2,4,5-trichloropyrimidine
• PubChem CID: 158391601
• Molecular Formula: C78H79Cl9F9K2N18NaO11P2S2
• Molecular Weight: 2161.93 g/mol
• Exact Mass: 2156.13
• IUPAC Name: dipotassium;sodium;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-phenylpyrimidine-2,4-diamine;2-chloro-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2,5-dichloro-N-phenylpyrimidin-4-amine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;hydride;methane;oxido formate;2,4,5-trichloropyrimidine
• SMILES: C.C.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1C(F)(F)F.COc1cc(P(C)(C)=O)ccc1Nc1ncc(C(F)(F)F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2)n1.Clc1ncc(Cl)c(Cl)n1.Clc1ncc(Cl)c(Nc2ccccc2)n1.FC(F)(F)c1cnc(Cl)nc1Cl.O=CO[O-].[H-].[H-].[K+].[K+].[Na+]
• InChI: InChI=1S/C23H26F3N4O4PS.C19H20ClN4O2P.C14H13ClF3N3O2S.C10H7Cl2N3.C5HCl2F3N2.C4HCl3N2.CH2O3.2CH4.2K.Na.2H/c1-14(2)36(32,33)20-9-7-6-8-18(20)28-21-16(23(24,25)26)13-27-22(30-21)29-17-11-10-15(35(4,5)31)12-19(17)34-3;1-26-17-11-14(27(2,3)25)9-10-16(17)23-19-21-12-15(20)18(24-19)22-13-7-5-4-6-8-13;1-8(2)24(22,23)11-6-4-3-5-10(11)20-12-9(14(16,17)18)7-19-13(15)21-12;11-8-6-13-10(12)15-9(8)14-7-4-2-1-3-5-7;6-3-2(5(8,9)10)1-11-4(7)12-3;5-2-1-8-4(7)9-3(2)6;2-1-4-3;;;;;;;/h6-14H,1-5H3,(H2,27,28,29,30);4-12H,1-3H3,(H2,21,22,23,24);3-8H,1-2H3,(H,19,20,21);1-6H,(H,13,14,15);1H;1H;1,3H;2*1H4;;;;;/q;;;;;;;;;3*+1;2*-1/p-1
• InChIKey: YWMXBMHXEANMDS-UHFFFAOYSA-M
• XLogP: 14.08
• TPSA: 397.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2161.93
LogP ≤ 5	14.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;sodium;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-phenylpyrimidine-2,4-diamine;2-chloro-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2,5-dichloro-N-phenylpyrimidin-4-amine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;hydride;methane;oxido formate;2,4,5-trichloropyrimidine?

The IUPAC name of dipotassium;sodium;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-phenylpyrimidine-2,4-diamine;2-chloro-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2,5-dichloro-N-phenylpyrimidin-4-amine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;hydride;methane;oxido formate;2,4,5-trichloropyrimidine (CID 158391601) is dipotassium;sodium;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-phenylpyrimidine-2,4-diamine;2-chloro-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2,5-dichloro-N-phenylpyrimidin-4-amine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;hydride;methane;oxido formate;2,4,5-trichloropyrimidine.

What is the SMILES notation for dipotassium;sodium;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-phenylpyrimidine-2,4-diamine;2-chloro-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2,5-dichloro-N-phenylpyrimidin-4-amine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;hydride;methane;oxido formate;2,4,5-trichloropyrimidine?

The canonical SMILES for dipotassium;sodium;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-phenylpyrimidine-2,4-diamine;2-chloro-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2,5-dichloro-N-phenylpyrimidin-4-amine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;hydride;methane;oxido formate;2,4,5-trichloropyrimidine is C.C.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1C(F)(F)F.COc1cc(P(C)(C)=O)ccc1Nc1ncc(C(F)(F)F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2)n1.Clc1ncc(Cl)c(Cl)n1.Clc1ncc(Cl)c(Nc2ccccc2)n1.FC(F)(F)c1cnc(Cl)nc1Cl.O=CO[O-].[H-].[H-].[K+].[K+].[Na+].

What is the InChIKey of dipotassium;sodium;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-phenylpyrimidine-2,4-diamine;2-chloro-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2,5-dichloro-N-phenylpyrimidin-4-amine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;hydride;methane;oxido formate;2,4,5-trichloropyrimidine?

The InChIKey is YWMXBMHXEANMDS-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H26F3N4O4PS.C19H20ClN4O2P.C14H13ClF3N3O2S.C10H7Cl2N3.C5HCl2F3N2.C4HCl3N2.CH2O3.2CH4.2K.Na.2H/c1-14(2)36(32,33)20-9-7-6-8-18(20)28-21-16(23(24,25)26)13-27-22(30-21)29-17-11-10-15(35(4,5)31)12-19(17)34-3;1-26-17-11-14(27(2,3)25)9-10-16(17)23-19-21-12-15(20)18(24-19)22-13-7-5-4-6-8-13;1-8(2)24(22,23)11-6-4-3-5-10(11)20-12-9(14(16,17)18)7-19-13(15)21-12;11-8-6-13-10(12)15-9(8)14-7-4-2-1-3-5-7;6-3-2(5(8,9)10)1-11-4(7)12-3;5-2-1-8-4(7)9-3(2)6;2-1-4-3;;;;;;;/h6-14H,1-5H3,(H2,27,28,29,30);4-12H,1-3H3,(H2,21,22,23,24);3-8H,1-2H3,(H,19,20,21);1-6H,(H,13,14,15);1H;1H;1,3H;2*1H4;;;;;/q;;;;;;;;;3*+1;2*-1/p-1.

What are the key properties of dipotassium;sodium;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-phenylpyrimidine-2,4-diamine;2-chloro-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2,5-dichloro-N-phenylpyrimidin-4-amine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;hydride;methane;oxido formate;2,4,5-trichloropyrimidine?

dipotassium;sodium;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-phenylpyrimidine-2,4-diamine;2-chloro-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2,5-dichloro-N-phenylpyrimidin-4-amine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;hydride;methane;oxido formate;2,4,5-trichloropyrimidine has a molecular weight of 2161.93 g/mol, XLogP of 14.08, 21 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;sodium;5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-phenylpyrimidine-2,4-diamine;2-chloro-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2,5-dichloro-N-phenylpyrimidin-4-amine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;hydride;methane;oxido formate;2,4,5-trichloropyrimidine is sourced from PubChem (CID 158391601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).