Basic information
- Standard SMILES
FC(F)(F)c1ccc(Nc2ncnc3c2CCN(Cc2ccccc2)C3)cn1- InChIKey
CBJKFXSSEQBOBH-UHFFFAOYSA-N- Molecular formula
- C20H18F3N5
- Average molar mass
- 385.4 g/mol
Names & identifiers
- Preferred name
- (7-Benzyl-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-yl)-(6-trifluoromethyl-pyridin-3-yl)-amine
- IUPAC
- 7-benzyl-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
Names & synonyms
(7-Benzyl-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-yl)-(6-trifluoromethyl-pyridin-3-yl)-amineSCHEMBL48721587-Benzyl-N-(6-(trifluoromethyl)pyridin-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 11292071
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 497
Related reactions
4 records
Compound notes
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