Basic information
- Standard SMILES
Cn1c(NCc2ccccc2)ncc(-c2ccc(OCc3ccccc3)c(F)c2)c1=O- InChIKey
IZIFJDBOKMPDGD-UHFFFAOYSA-N- Molecular formula
- C25H22FN3O2
- Average molar mass
- 415.5 g/mol
Names & identifiers
- Preferred name
- 2-(benzylamino)-5-(4-(benzyloxy)-3-fluorophenyl)-3-methylpyrimidin-4(3H)-one
- IUPAC
- 2-(benzylamino)-5-(3-fluoro-4-phenylmethoxyphenyl)-3-methylpyrimidin-4-one
Names & synonyms
SCHEMBL2284650IZIFJDBOKMPDGD-UHFFFAOYSA-N2-(benzylamino)-5-(4-(benzyloxy)-3-fluorophenyl)-3-methylpyrimidin-4(3H)-one
Database identifiers
- PubChem CID
- 67348158
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 668
Related reactions
4 records
Compound notes
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