Basic information
- Standard SMILES
CCN(CC)C(=O)C=CC(C)Sc1nc(N)cc(Cl)n1- InChIKey
PUIUVVGYMSCPOK-UHFFFAOYSA-N- Molecular formula
- C13H19ClN4OS
- Average molar mass
- 314.84 g/mol
Names & identifiers
- Preferred name
- 4-(4-amino-6-chloropyrimidin-2-yl)sulfanyl-N,N-diethylpent-2-enamide
- IUPAC
- 4-(4-amino-6-chloropyrimidin-2-yl)sulfanyl-N,N-diethylpent-2-enamide
Names & synonyms
SCHEMBL8177422
Database identifiers
- PubChem CID
- 492826
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Related reactions
1 records
Compound notes
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