Basic information
- Standard SMILES
Nc1nc(Nc2ccc(CCO)cc2)cc(-c2cc(Cl)ccc2OCc2ccccc2)n1- InChIKey
YEPCQCKCOYMZCF-UHFFFAOYSA-N- Molecular formula
- C25H23ClN4O2
- Average molar mass
- 446.9 g/mol
Names & identifiers
- Preferred name
- 2-[4-{2-Amino-6-(2-benzyloxy-5-chloro-phenyl)-pyrimidin4-ylamino]-phenyl}-ethanol
- IUPAC
- 2-[4-[[2-amino-6-(5-chloro-2-phenylmethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol
Names & synonyms
SCHEMBL4291089YEPCQCKCOYMZCF-UHFFFAOYSA-N2-[4-{2-Amino-6-(2-benzyloxy-5-chloro-phenyl)-pyrimidin4-ylamino]-phenyl}-ethanol
Database identifiers
- PubChem CID
- 42606643
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 542
Related reactions
1 records
Compound notes
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