Basic information
- Standard SMILES
CN1CCCn2c1cc(OCc1cc(F)c(F)cc1F)nc2=O- InChIKey
YBLMIEUQPUUDHG-UHFFFAOYSA-N- Molecular formula
- C15H14F3N3O2
- Average molar mass
- 325.29 g/mol
Names & identifiers
- Preferred name
- 1-methyl-8-((2,4,5-trifluorobenzyl)oxy)-3,4-dihydro-1H-pyrimido[1,6-a]pyrimidin-6(2H)-one
- IUPAC
- 1-methyl-8-[(2,4,5-trifluorophenyl)methoxy]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
Names & synonyms
SCHEMBL14656175YBLMIEUQPUUDHG-UHFFFAOYSA-N1-methyl-8-((2,4,5-trifluorobenzyl)oxy)-3,4-dihydro-1H-pyrimido[1,6-a]pyrimidin-6(2H)-one
Database identifiers
- PubChem CID
- 71236619
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 540
Related reactions
1 records
Compound notes
Loading…