Basic information
- Standard SMILES
CSc1nc(Nc2c(F)cccc2F)c(C=O)c(-c2ccc(F)cc2C)n1- InChIKey
QDILZBOJNLPEBK-UHFFFAOYSA-N- Molecular formula
- C19H14F3N3OS
- Average molar mass
- 389.4 g/mol
Names & identifiers
- Preferred name
- 4-(2,6-Difluoro-phenylamino)-6-(4-fluoro-2-methyl-phenyl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde
- IUPAC
- 4-(2,6-difluoroanilino)-6-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carbaldehyde
Names & synonyms
SCHEMBL1064841QDILZBOJNLPEBK-UHFFFAOYSA-N(2,6-difluorophenyl amino]-6-(4-fluoro-2-methylphenyl)-2-(methylthio)-5-pyrimidinecarbaldehyde4-(2,6-difluoro-phenylamino)-6-(4-fluoro-2-methyl-phenyl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde4-[(2,6-difluorophenyl)amino]-6-(4-fluoro-2-methylphenyl)-2-(methylthio)-pyrimidine-5-carbaldehyde
Database identifiers
- PubChem CID
- 10271633
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 493
Related reactions
8 records
Compound notes
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