Basic information
- Standard SMILES
O=CNc1nc(Cl)c(NC=O)c(NOCc2ccccc2)n1- InChIKey
IDQTXQNLPWMLOA-UHFFFAOYSA-N- Molecular formula
- C13H12ClN5O3
- Average molar mass
- 321.72 g/mol
Names & identifiers
- Preferred name
- 6-Benzyloxyamino-4-chloro-2,5-diformamidopyrimidine
- IUPAC
- N-[4-chloro-2-formamido-6-(phenylmethoxyamino)pyrimidin-5-yl]formamide
Names & synonyms
SCHEMBL9417178IDQTXQNLPWMLOA-UHFFFAOYSA-N6-Benzyloxyamino-4-chloro-2,5-diformamidopyrimidine6-Benzyloxyamino-4-chloro-2,5-diformamido-pyrimidine
Database identifiers
- PubChem CID
- 14523960
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 357
Related reactions
8 records
Compound notes
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