6-[(2,4-difluorophenyl)methoxy]-3-methyl-2-methylsulfanylpyrimidin-4-one

C13H12F2N2O2S — CID 69385745

IUPAC6-[(2,4-difluorophenyl)methoxy]-3-methyl-2-methylsulfanylpyrimidin-4-one
SMILESCSc1nc(OCc2ccc(F)cc2F)cc(=O)n1C
InChIInChI=1S/C13H12F2N2O2S/c1-17-12(18)6-11(16-13(17)20-2)19-7-8-3-4-9(14)5-10(8)15/h3-6H,7H2,1-2H3
InChIKeyARLIIAMCNYBPNW-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.36
Rot. Bonds4

About 6-[(2,4-difluorophenyl)methoxy]-3-methyl-2-methylsulfanylpyrimidin-4-one

6-[(2,4-difluorophenyl)methoxy]-3-methyl-2-methylsulfanylpyrimidin-4-one (PubChem CID 69385745) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 6-[(2,4-difluorophenyl)methoxy]-3-methyl-2-methylsulfanylpyrimidin-4-one.

Molecular Properties

Compound Name6-[(2,4-difluorophenyl)methoxy]-3-methyl-2-methylsulfanylpyrimidin-4-one
PubChem CID69385745
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name6-[(2,4-difluorophenyl)methoxy]-3-methyl-2-methylsulfanylpyrimidin-4-one
SMILESCSc1nc(OCc2ccc(F)cc2F)cc(=O)n1C
InChIInChI=1S/C13H12F2N2O2S/c1-17-12(18)6-11(16-13(17)20-2)19-7-8-3-4-9(14)5-10(8)15/h3-6H,7H2,1-2H3
InChIKeyARLIIAMCNYBPNW-UHFFFAOYSA-N
XLogP2.36
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Dimethylamino)-5-fluoro-6-phenyl-1,3-oxazin-4-one
CID 14948407
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
CID 11516001
5-bromo-6-(4'-trifluoromethylbenzyloxy)-3-methyl-4(3H)-pyrimidinone
CID 14276128
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-prop-2-enylpyrimidin-4-one
CID 21089325
5-Chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-prop-2-enylpyrimidin-4-one
CID 21089326
6-[(2,4-Difluorophenyl)methoxy]-2-methyl-3-prop-2-ynylpyrimidin-4-one
CID 21090033
3-(Difluoromethyl)-6-phenylmethoxypyrimidin-4-one
CID 21090118
5-Chloro-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanyl-3-propan-2-ylpyrimidin-4-one
CID 69351794
6-[(2,4-Difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
CID 69351805
6-[(2,4-Difluorophenyl)methoxy]-3-(2,2-dimethylpropyl)-2-methylsulfanylpyrimidin-4-one
CID 69351985
3-Cyclopropyl-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfanylpyrimidin-4-one
CID 69351986
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-2-methylsulfonyl-3-propan-2-ylpyrimidin-4-one
CID 69352155

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorophenyl)methoxy]-3-methyl-2-methylsulfanylpyrimidin-4-one?
The IUPAC name of 6-[(2,4-difluorophenyl)methoxy]-3-methyl-2-methylsulfanylpyrimidin-4-one (CID 69385745) is 6-[(2,4-difluorophenyl)methoxy]-3-methyl-2-methylsulfanylpyrimidin-4-one.
What is the SMILES notation for 6-[(2,4-difluorophenyl)methoxy]-3-methyl-2-methylsulfanylpyrimidin-4-one?
The canonical SMILES for 6-[(2,4-difluorophenyl)methoxy]-3-methyl-2-methylsulfanylpyrimidin-4-one is CSc1nc(OCc2ccc(F)cc2F)cc(=O)n1C.
What is the InChIKey of 6-[(2,4-difluorophenyl)methoxy]-3-methyl-2-methylsulfanylpyrimidin-4-one?
The InChIKey is ARLIIAMCNYBPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-17-12(18)6-11(16-13(17)20-2)19-7-8-3-4-9(14)5-10(8)15/h3-6H,7H2,1-2H3.
What are the key properties of 6-[(2,4-difluorophenyl)methoxy]-3-methyl-2-methylsulfanylpyrimidin-4-one?
6-[(2,4-difluorophenyl)methoxy]-3-methyl-2-methylsulfanylpyrimidin-4-one has a molecular weight of 298.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenyl)methoxy]-3-methyl-2-methylsulfanylpyrimidin-4-one is sourced from PubChem (CID 69385745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).