sodium;2,4-dichloro-6-(4-fluorophenyl)pyrimidine;2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;2,4,6-trichloropyrimidine

C66H43Cl6F8N10NaO9 — CID 159742622

About sodium;2,4-dichloro-6-(4-fluorophenyl)pyrimidine;2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;2,4,6-trichloropyrimidine

sodium;2,4-dichloro-6-(4-fluorophenyl)pyrimidine;2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;2,4,6-trichloropyrimidine (PubChem CID 159742622) has the molecular formula C66H43Cl6F8N10NaO9 and a molecular weight of 1507.82 g/mol. Its IUPAC name is sodium;2,4-dichloro-6-(4-fluorophenyl)pyrimidine;2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;2,4,6-trichloropyrimidine.

Molecular Properties

• Compound Name: sodium;2,4-dichloro-6-(4-fluorophenyl)pyrimidine;2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;2,4,6-trichloropyrimidine
• PubChem CID: 159742622
• Molecular Formula: C66H43Cl6F8N10NaO9
• Molecular Weight: 1507.82 g/mol
• Exact Mass: 1504.11
• IUPAC Name: sodium;2,4-dichloro-6-(4-fluorophenyl)pyrimidine;2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;2,4,6-trichloropyrimidine
• SMILES: CCOC(=O)COc1cc(-c2ccc(F)cc2)nc(-c2cc(F)cc(F)c2)n1.CCOC(=O)COc1cc(-c2ccc(F)cc2)nc(Cl)n1.Clc1cc(Cl)nc(Cl)n1.Fc1ccc(-c2cc(Cl)nc(Cl)n2)cc1.O=C([O-])COc1cc(-c2ccc(F)cc2)nc(-c2cc(F)cc(F)c2)n1.[Na+]
• InChI: InChI=1S/C20H15F3N2O3.C18H11F3N2O3.C14H12ClFN2O3.C10H5Cl2FN2.C4HCl3N2.Na/c1-2-27-19(26)11-28-18-10-17(12-3-5-14(21)6-4-12)24-20(25-18)13-7-15(22)9-16(23)8-13;19-12-3-1-10(2-4-12)15-8-16(26-9-17(24)25)23-18(22-15)11-5-13(20)7-14(21)6-11;1-2-20-13(19)8-21-12-7-11(17-14(15)18-12)9-3-5-10(16)6-4-9;11-9-5-8(14-10(12)15-9)6-1-3-7(13)4-2-6;5-2-1-3(6)9-4(7)8-2;/h3-10H,2,11H2,1H3;1-8H,9H2,(H,24,25);3-7H,2,8H2,1H3;1-5H;1H;/q;;;;;+1/p-1
• InChIKey: NCQOLCSVASTFPY-UHFFFAOYSA-M
• XLogP: 12.43
• TPSA: 249.32 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1507.82
LogP ≤ 5	12.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of sodium;2,4-dichloro-6-(4-fluorophenyl)pyrimidine;2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;2,4,6-trichloropyrimidine?

The IUPAC name of sodium;2,4-dichloro-6-(4-fluorophenyl)pyrimidine;2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;2,4,6-trichloropyrimidine (CID 159742622) is sodium;2,4-dichloro-6-(4-fluorophenyl)pyrimidine;2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;2,4,6-trichloropyrimidine.

What is the SMILES notation for sodium;2,4-dichloro-6-(4-fluorophenyl)pyrimidine;2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;2,4,6-trichloropyrimidine?

The canonical SMILES for sodium;2,4-dichloro-6-(4-fluorophenyl)pyrimidine;2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;2,4,6-trichloropyrimidine is CCOC(=O)COc1cc(-c2ccc(F)cc2)nc(-c2cc(F)cc(F)c2)n1.CCOC(=O)COc1cc(-c2ccc(F)cc2)nc(Cl)n1.Clc1cc(Cl)nc(Cl)n1.Fc1ccc(-c2cc(Cl)nc(Cl)n2)cc1.O=C([O-])COc1cc(-c2ccc(F)cc2)nc(-c2cc(F)cc(F)c2)n1.[Na+].

What is the InChIKey of sodium;2,4-dichloro-6-(4-fluorophenyl)pyrimidine;2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;2,4,6-trichloropyrimidine?

The InChIKey is NCQOLCSVASTFPY-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H15F3N2O3.C18H11F3N2O3.C14H12ClFN2O3.C10H5Cl2FN2.C4HCl3N2.Na/c1-2-27-19(26)11-28-18-10-17(12-3-5-14(21)6-4-12)24-20(25-18)13-7-15(22)9-16(23)8-13;19-12-3-1-10(2-4-12)15-8-16(26-9-17(24)25)23-18(22-15)11-5-13(20)7-14(21)6-11;1-2-20-13(19)8-21-12-7-11(17-14(15)18-12)9-3-5-10(16)6-4-9;11-9-5-8(14-10(12)15-9)6-1-3-7(13)4-2-6;5-2-1-3(6)9-4(7)8-2;/h3-10H,2,11H2,1H3;1-8H,9H2,(H,24,25);3-7H,2,8H2,1H3;1-5H;1H;/q;;;;;+1/p-1.

What are the key properties of sodium;2,4-dichloro-6-(4-fluorophenyl)pyrimidine;2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;2,4,6-trichloropyrimidine?

sodium;2,4-dichloro-6-(4-fluorophenyl)pyrimidine;2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;2,4,6-trichloropyrimidine has a molecular weight of 1507.82 g/mol, XLogP of 12.43, 17 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2,4-dichloro-6-(4-fluorophenyl)pyrimidine;2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;ethyl 2-[2-(3,5-difluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate;2,4,6-trichloropyrimidine is sourced from PubChem (CID 159742622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).