[4-(2-Hydroxyphenyl)-6-phenylpyrimidin-2-yl]urea
Basic information
- CAS
52872-80-7- Standard SMILES
NC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2O)n1- InChIKey
PSAITBGXPWKFFK-UHFFFAOYSA-N- Molecular formula
- C17H14N4O2
- Average molar mass
- 306.32 g/mol
- Monoisotopic mass
- 306.1116757
Names & identifiers
- Preferred name
- [4-(2-Hydroxyphenyl)-6-phenylpyrimidin-2-yl]urea
- IUPAC
- [4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]urea
Names & synonyms
NSC23248252872-80-7DTXSID90418357NSC-232482N-[(6E)-6-(6-Oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1,6-dihydropyrimidin-2-yl]urea
Database identifiers
- CAS
52872-80-7- PubChem CID
- 314564
- DTXSID
DTXSID90418357
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 400
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