Basic information
- Standard SMILES
O=c1cc(N2CCN(Cc3c(F)cccc3Cl)CC2)nc[nH]1- InChIKey
OAAUYBMDFYHSNH-UHFFFAOYSA-N- Molecular formula
- C15H16ClFN4O
- Average molar mass
- 322.76 g/mol
Names & identifiers
- Preferred name
- 6-[4-(2-chloro-6-fluorobenzyl)-piperazin-1-yl]-3H-pyrimidin-4-one
- IUPAC
- 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one
Names & synonyms
SCHEMBL3039842OAAUYBMDFYHSNH-UHFFFAOYSA-NF6839-87796-[4-(2-chloro-6-fluorobenzyl)-piperazin-1-yl]-3H-pyrimidin-4-one6-{4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl}-3,4-dihydropyrimidin-4-one
Database identifiers
- PubChem CID
- 136346324
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 476
Related reactions
2 records
Compound notes
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