Basic information
- Standard SMILES
CSc1nc(Cl)c(C#N)c(Nc2ccccc2)n1- InChIKey
HGKHYIDJADDPDM-UHFFFAOYSA-N- Molecular formula
- C12H9ClN4S
- Average molar mass
- 276.75 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbonitrile
- IUPAC
- 4-anilino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile
Names & synonyms
200626-36-4SCHEMBL3277717HGKHYIDJADDPDM-UHFFFAOYSA-NDA-397144-Chloro-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 3576512
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Related reactions
4 records
Compound notes
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