Basic information
- Standard SMILES
CCC(C)Nc1nc(SC)nc(-c2ccccc2F)c1C=O- InChIKey
CRGRWFRIQJGRCD-UHFFFAOYSA-N- Molecular formula
- C16H18FN3OS
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.11546154
Names & identifiers
- Preferred name
- 4-Sec-butylamino-6-(2-fluoro-phenyl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde
- IUPAC
- 4-(butan-2-ylamino)-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine-5-carbaldehyde
Names & synonyms
SCHEMBL1062934SCHEMBL12122394CRGRWFRIQJGRCD-UHFFFAOYSA-N4-sec-butylamino-6-(2-fluoro-phenyl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde
Database identifiers
- PubChem CID
- 59639535
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 360
Related reactions
6 records
Compound notes
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