5-(((1-methyl-6-oxo-2,3,4,6-tetrahydro-1H-pyrimido[1,6-a]pyrimidin-8-yl)oxy)methyl)-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile

HCID 71236637
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Basic information

Standard SMILES
CN1CCCn2c1cc(OCc1ccc(Oc3ccc(C(F)(F)F)cn3)c(C#N)c1)nc2=O
InChIKey
VOQCCWRSJJWJNM-UHFFFAOYSA-N
Molecular formula
C22H18F3N5O3
Average molar mass
457.4 g/mol
Monoisotopic mass
457.13617394

Names & identifiers

Preferred name
5-(((1-methyl-6-oxo-2,3,4,6-tetrahydro-1H-pyrimido[1,6-a]pyrimidin-8-yl)oxy)methyl)-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile
IUPAC
5-[(1-methyl-6-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-8-yl)oxymethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile

Names & synonyms

5-(((1-methyl-6-oxo-2,3,4,6-tetrahydro-1H-pyrimido[1,6-a]pyrimidin-8-yl)oxy)methyl)-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrileSCHEMBL14667773

Database identifiers

PubChem CID
71236637

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
91.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
33

Related reactions

1 records
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Linked notes

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