3-(4-methoxyphenyl)-2-(methylthio)-6-phenylpyrimidin-4(3H)-one
Basic information
- CAS
80306-58-7- Standard SMILES
COc1ccc(-n2c(SC)nc(-c3ccccc3)cc2=O)cc1- InChIKey
QYXKYLMIACYPAN-UHFFFAOYSA-N- Molecular formula
- C18H16N2O2S
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.09324893
Names & identifiers
- Preferred name
- 3-(4-methoxyphenyl)-2-(methylthio)-6-phenylpyrimidin-4(3H)-one
- IUPAC
- 3-(4-methoxyphenyl)-2-methylsulfanyl-6-phenylpyrimidin-4-one
Names & synonyms
80306-58-73-(4-methoxyphenyl)-2-(methylthio)-6-phenylpyrimidin-4(3H)-oneDTXSID605118843-(4-Methoxyphenyl)-2-(methylsulfanyl)-6-phenylpyrimidin-4(3H)-one
Database identifiers
- CAS
80306-58-7- PubChem CID
- 12866790
- DTXSID
DTXSID60511884
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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