(7-Benzyl-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-yl)-(6-trifluoromethyl-pyridin-3-yl)-amine

HCID 11292071

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

Related reactions

4 records

Compound notes

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