Basic information
- Standard SMILES
CSc1nc(C)c(C#N)c(Nc2cccc(C)c2)n1- InChIKey
YTQWHMDLSMRZIL-UHFFFAOYSA-N- Molecular formula
- C14H14N4S
- Average molar mass
- 270.35 g/mol
Names & identifiers
- Preferred name
- 4-Methyl-6-[(3-methylphenyl)amino]-2-(methylthio)-5-pyrimidinecarbonitrile
- IUPAC
- 4-methyl-6-(3-methylanilino)-2-methylsulfanylpyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL1940331YTQWHMDLSMRZIL-UHFFFAOYSA-N4-methyl-6-[(3-methylphenyl)amino]-2-(methylthio)-5-pyrimidinecarbonitrile
Database identifiers
- PubChem CID
- 58296334
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Related reactions
3 records
Compound notes
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