Basic information
- Standard SMILES
N#Cc1c(Cl)nc(N)nc1OCc1ccccc1- InChIKey
TYMUAWZHQRQCKS-UHFFFAOYSA-N- Molecular formula
- C12H9ClN4O
- Average molar mass
- 260.68 g/mol
- Monoisotopic mass
- 260.0464886
Names & identifiers
- Preferred name
- 2-Amino-4-benzyloxy-6-chloro-pyrimidine-5-carbonitrile
- IUPAC
- 2-amino-4-chloro-6-phenylmethoxypyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL6444882TYMUAWZHQRQCKS-UHFFFAOYSA-N2-Amino-4-benzyloxy-6-chloro-pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 18507216
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Related reactions
2 records
Compound notes
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