5-(3-fluoro-4-methoxyphenyl)-3-methyl-2-methylthio-3H-pyrimidin-4-one

HCID 58828891
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Basic information

Standard SMILES
COc1ccc(-c2cnc(SC)n(C)c2=O)cc1F
InChIKey
LNLNUIZEAIJODM-UHFFFAOYSA-N
Molecular formula
C13H13FN2O2S
Average molar mass
280.32 g/mol
Monoisotopic mass
280.068177

Names & identifiers

Preferred name
5-(3-fluoro-4-methoxyphenyl)-3-methyl-2-methylthio-3H-pyrimidin-4-one
IUPAC
5-(3-fluoro-4-methoxyphenyl)-3-methyl-2-methylsulfanylpyrimidin-4-one

Names & synonyms

SCHEMBL2382384LNLNUIZEAIJODM-UHFFFAOYSA-N5-(3-fluoro-4-methoxyphenyl)-3-methyl-2-methylthio-3H-pyrimidin-4-one

Database identifiers

PubChem CID
58828891

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
67.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
19

Related reactions

4 records
New reaction record

Compound notes

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