4-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-methyl-6-(4-methylphenyl)pyrimidin-2-one;4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]methoxy]-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one

C50H39Cl2F5N6O7 — CID 158677172

About 4-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-methyl-6-(4-methylphenyl)pyrimidin-2-one;4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]methoxy]-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one

4-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-methyl-6-(4-methylphenyl)pyrimidin-2-one;4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]methoxy]-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one (PubChem CID 158677172) has the molecular formula C50H39Cl2F5N6O7 and a molecular weight of 1001.79 g/mol. Its IUPAC name is 4-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-methyl-6-(4-methylphenyl)pyrimidin-2-one;4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]methoxy]-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one.

Molecular Properties

• Compound Name: 4-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-methyl-6-(4-methylphenyl)pyrimidin-2-one;4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]methoxy]-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one
• PubChem CID: 158677172
• Molecular Formula: C50H39Cl2F5N6O7
• Molecular Weight: 1001.79 g/mol
• Exact Mass: 1000.22
• IUPAC Name: 4-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-methyl-6-(4-methylphenyl)pyrimidin-2-one;4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]methoxy]-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one
• SMILES: COc1ncc(-c2cc(OCc3ccc(Oc4ccc(Cl)c(C(F)(F)F)c4)c(F)c3)nc(=O)n2C)cn1.Cc1ccc(-c2cc(OCc3ccc(Oc4ccc(Cl)c(C)c4)c(F)c3)nc(=O)n2C)cc1
• InChI: InChI=1S/C26H22ClFN2O3.C24H17ClF4N4O4/c1-16-4-7-19(8-5-16)23-14-25(29-26(31)30(23)3)32-15-18-6-11-24(22(28)13-18)33-20-9-10-21(27)17(2)12-20;1-33-19(14-10-30-22(35-2)31-11-14)9-21(32-23(33)34)36-12-13-3-6-20(18(26)7-13)37-15-4-5-17(25)16(8-15)24(27,28)29/h4-14H,15H2,1-3H3;3-11H,12H2,1-2H3
• InChIKey: IEQZGGWKCFCOOJ-UHFFFAOYSA-N
• XLogP: 11.66
• TPSA: 141.71 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1001.79
LogP ≤ 5	11.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-methyl-6-(4-methylphenyl)pyrimidin-2-one;4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]methoxy]-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one?

The IUPAC name of 4-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-methyl-6-(4-methylphenyl)pyrimidin-2-one;4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]methoxy]-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one (CID 158677172) is 4-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-methyl-6-(4-methylphenyl)pyrimidin-2-one;4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]methoxy]-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one.

What is the SMILES notation for 4-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-methyl-6-(4-methylphenyl)pyrimidin-2-one;4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]methoxy]-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one?

The canonical SMILES for 4-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-methyl-6-(4-methylphenyl)pyrimidin-2-one;4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]methoxy]-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one is COc1ncc(-c2cc(OCc3ccc(Oc4ccc(Cl)c(C(F)(F)F)c4)c(F)c3)nc(=O)n2C)cn1.Cc1ccc(-c2cc(OCc3ccc(Oc4ccc(Cl)c(C)c4)c(F)c3)nc(=O)n2C)cc1.

What is the InChIKey of 4-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-methyl-6-(4-methylphenyl)pyrimidin-2-one;4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]methoxy]-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one?

The InChIKey is IEQZGGWKCFCOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN2O3.C24H17ClF4N4O4/c1-16-4-7-19(8-5-16)23-14-25(29-26(31)30(23)3)32-15-18-6-11-24(22(28)13-18)33-20-9-10-21(27)17(2)12-20;1-33-19(14-10-30-22(35-2)31-11-14)9-21(32-23(33)34)36-12-13-3-6-20(18(26)7-13)37-15-4-5-17(25)16(8-15)24(27,28)29/h4-14H,15H2,1-3H3;3-11H,12H2,1-2H3.

What are the key properties of 4-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-methyl-6-(4-methylphenyl)pyrimidin-2-one;4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]methoxy]-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one?

4-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-methyl-6-(4-methylphenyl)pyrimidin-2-one;4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]methoxy]-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one has a molecular weight of 1001.79 g/mol, XLogP of 11.66, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-methyl-6-(4-methylphenyl)pyrimidin-2-one;4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]methoxy]-6-(2-methoxypyrimidin-5-yl)-1-methylpyrimidin-2-one is sourced from PubChem (CID 158677172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).