Basic information
- Standard SMILES
Cn1c(CC2CCCCC2)ncc(-c2ccc(O)c(F)c2)c1=O- InChIKey
VHGQEKMWPGXRGJ-UHFFFAOYSA-N- Molecular formula
- C18H21FN2O2
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.15870608
Names & identifiers
- Preferred name
- 2-(cyclohexylmethyl)-5-(3-fluoro-4-hydroxyphenyl)-3-methylpyrimidin-4(3H)-one
- IUPAC
- 2-(cyclohexylmethyl)-5-(3-fluoro-4-hydroxyphenyl)-3-methylpyrimidin-4-one
Names & synonyms
SCHEMBL3111973VHGQEKMWPGXRGJ-UHFFFAOYSA-N2-(cyclohexylmethyl)-5-(3-fluoro-4-hydroxyphenyl)-3-methylpyrimidin-4(3H)-one
Database identifiers
- PubChem CID
- 68516159
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 511
Related reactions
4 records
Compound notes
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