CID 314560
Basic information
- CAS
52872-49-8- Standard SMILES
Cc1cnc(NC#N)nc1-c1ccccc1O- InChIKey
PRCHSCSZPKLVFS-UHFFFAOYSA-N- Molecular formula
- C12H10N4O
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.08546096
Names & identifiers
- Preferred name
- CID 314560
- IUPAC
- [4-(2-hydroxyphenyl)-5-methylpyrimidin-2-yl]cyanamide
Names & synonyms
52872-49-8NSC232478DTXSID50967336NSC-232478[4-(2-Hydroxyphenyl)-5-methylpyrimidin-2-yl]cyanamide
Database identifiers
- CAS
52872-49-8- PubChem CID
- 314560
- DTXSID
DTXSID50967336
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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