1-(Phenoxy)methyl-4,6-dimethyl-5-bromopyrimidin-2-one

HCID 20161341
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1nc(=O)n(COc2ccccc2)c(C)c1Br
InChIKey
LZDIDDIPTFQCTM-UHFFFAOYSA-N
Molecular formula
C13H13BrN2O2
Average molar mass
309.16 g/mol
Monoisotopic mass
308.01604

Names & identifiers

Preferred name
1-(Phenoxy)methyl-4,6-dimethyl-5-bromopyrimidin-2-one
IUPAC
5-bromo-4,6-dimethyl-1-(phenoxymethyl)pyrimidin-2-one

Names & synonyms

SCHEMBL10735570LZDIDDIPTFQCTM-UHFFFAOYSA-N1-(Phenoxy)methyl-4,6-dimethyl-5-bromopyrimidin-2-one

Database identifiers

PubChem CID
20161341

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
41.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
18

Related reactions

3 records
New reaction record

Linked notes

Loading…