Basic information
- Standard SMILES
CSc1ncc(C#N)c(N(C)C(C)=O)n1- InChIKey
LEKVRWYXLBOAMG-UHFFFAOYSA-N- Molecular formula
- C9H10N4OS
- Average molar mass
- 222.27 g/mol
- Monoisotopic mass
- 222.05753213
Names & identifiers
- Preferred name
- N-(5-cyano-2-methylsulfanyl-pyrimidin-4-yl)-N-methyl-acetamide
- IUPAC
- N-(5-cyano-2-methylsulfanylpyrimidin-4-yl)-N-methylacetamide
Names & synonyms
SCHEMBL1226126LEKVRWYXLBOAMG-UHFFFAOYSA-NN-(5-cyano-2-methylsulfanyl-pyrimidin-4-yl)-N-methyl-acetamide
Database identifiers
- PubChem CID
- 57929481
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 287
Related reactions
3 records
Compound notes
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