Basic information
- Standard SMILES
CSc1nc(N)nc(-c2ccccc2F)c1C#N- InChIKey
VVCFWBWGSAECQO-UHFFFAOYSA-N- Molecular formula
- C12H9FN4S
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.05319564
Names & identifiers
- Preferred name
- 2-Amino-4-(2-fluoro-phenyl)-6-methylsulfanyl-pyrimidine-5-carbonitrile
- IUPAC
- 2-amino-4-(2-fluorophenyl)-6-methylsulfanylpyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL6445364VVCFWBWGSAECQO-UHFFFAOYSA-N2-Amino-4-(2-fluoro-phenyl)-6-methylsulfanyl-pyrimidine-5-carbonitrile2-Amino-4-(2-fluoro-phenyl)-6-methylsulfanyl-pyrmidine-5-carbonitrile
Database identifiers
- PubChem CID
- 18507627
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Related reactions
2 records
Compound notes
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