2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one
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Basic information
- Standard SMILES
CSc1nc(O)cc(-c2cccc(C(F)(F)F)c2)n1- InChIKey
MXGJUUFUYLOTNO-UHFFFAOYSA-N- Molecular formula
- C12H9F3N2OS
- Average molar mass
- 286.27 g/mol
- Monoisotopic mass
- 286.03876857
Names & identifiers
- IUPAC
- 2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one
Database identifiers
- PubChem CID
- 68822557
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 431
Related reactions
5 records
Compound notes
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