Basic information
- Standard SMILES
CN1CCCn2c1cc(OCc1cccc(C(F)(F)F)c1)nc2=O- InChIKey
JWLNZHLBMOCUIC-UHFFFAOYSA-N- Molecular formula
- C16H16F3N3O2
- Average molar mass
- 339.31 g/mol
Names & identifiers
- Preferred name
- 1-methyl-8-((3-(trifluoromethyl)benzyl)oxy)-3,4-dihydro-1H-pyrimido[1,6-a]pyrimidin-6(2H)-one
- IUPAC
- 1-methyl-8-[[3-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
Names & synonyms
1-methyl-8-((3-(trifluoromethyl)benzyl)oxy)-3,4-dihydro-1H-pyrimido[1,6-a]pyrimidin-6(2H)-oneSCHEMBL14656336
Database identifiers
- PubChem CID
- 71236702
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 559
Related reactions
1 records
Compound notes
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