3-(4-chlorobenzyl)-5-(3-fluoro-4-hydroxyphenyl)pyrimidin-4(3H)-one

HCID 68516482
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Basic information

Standard SMILES
O=c1c(-c2ccc(O)c(F)c2)cncn1Cc1ccc(Cl)cc1
InChIKey
XMMRQIFEXGJEMV-UHFFFAOYSA-N
Molecular formula
C17H12ClFN2O2
Average molar mass
330.7 g/mol
Monoisotopic mass
330.0571335

Names & identifiers

Preferred name
3-(4-chlorobenzyl)-5-(3-fluoro-4-hydroxyphenyl)pyrimidin-4(3H)-one
IUPAC
3-[(4-chlorophenyl)methyl]-5-(3-fluoro-4-hydroxyphenyl)pyrimidin-4-one

Names & synonyms

SCHEMBL3112868XMMRQIFEXGJEMV-UHFFFAOYSA-N3-(4-chlorobenzyl)-5-(3-fluoro-4-hydroxyphenyl)pyrimidin-4(3H)-one

Database identifiers

PubChem CID
68516482

Properties

Computed structural properties

XLogP
3
Topological polar surface area
52.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
23

Related reactions

4 records
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Compound notes

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