8-((4-(4-chloro-3-(trifluoromethyl)phenoxy)phenyl)ethynyl)-1-methyl-3,4-dihydro-1H-pyrimido[1,6-a]pyrimidin-6(2H)-one

HCID 71236588
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Basic information

Standard SMILES
CN1CCCn2c1cc(C#Cc1ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)cc1)nc2=O
InChIKey
YRVBOUIGPMRDRA-UHFFFAOYSA-N
Molecular formula
C23H17ClF3N3O2
Average molar mass
459.8 g/mol
Monoisotopic mass
459.096139

Names & identifiers

Preferred name
8-((4-(4-chloro-3-(trifluoromethyl)phenoxy)phenyl)ethynyl)-1-methyl-3,4-dihydro-1H-pyrimido[1,6-a]pyrimidin-6(2H)-one
IUPAC
8-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethynyl]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one

Names & synonyms

8-((4-(4-chloro-3-(trifluoromethyl)phenoxy)phenyl)ethynyl)-1-methyl-3,4-dihydro-1H-pyrimido[1,6-a]pyrimidin-6(2H)-oneSCHEMBL14656117

Database identifiers

PubChem CID
71236588

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
45.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
32

Related reactions

1 records
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Compound notes

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