[4-(2-Hydroxyphenyl)-6-phenylpyrimidin-2-yl]cyanamide
Basic information
- CAS
52872-48-7- Standard SMILES
N#CNc1nc(-c2ccccc2)cc(-c2ccccc2O)n1- InChIKey
OLBSZFPKNBXROC-UHFFFAOYSA-N- Molecular formula
- C17H12N4O
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.10111102
Names & identifiers
- Preferred name
- [4-(2-Hydroxyphenyl)-6-phenylpyrimidin-2-yl]cyanamide
- IUPAC
- [4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]cyanamide
Names & synonyms
NSC23248152872-48-7DTXSID30418356NSC-232481[(6E)-6-(6-Oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1,6-dihydropyrimidin-2-yl]cyanamide
Database identifiers
- CAS
52872-48-7- PubChem CID
- 314563
- DTXSID
DTXSID30418356
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
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Compound notes
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