3-(4-Methoxyphenyl)-2-(methylsulfanyl)pyrimidin-4(3H)-one
Basic information
- CAS
89069-28-3- Standard SMILES
COc1ccc(-n2c(SC)nccc2=O)cc1- InChIKey
HGIUCVLINNJMAJ-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2S
- Average molar mass
- 248.3 g/mol
- Monoisotopic mass
- 248.0619488
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenyl)-2-(methylsulfanyl)pyrimidin-4(3H)-one
- IUPAC
- 3-(4-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one
Names & synonyms
89069-28-3NSC269989DTXSID803134033-(4-Methoxyphenyl)-2-(methylsulfanyl)pyrimidin-4(3H)-oneNSC-269989
Database identifiers
- CAS
89069-28-3- PubChem CID
- 320858
- DTXSID
DTXSID80313403
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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