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2,4-Dimethoxy-5-pyrimidin-5-yl-benzaldehyde

HCID 21980989
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(OC)c(-c2cncnc2)cc1C=O
InChIKey
WBEPLOPDOYYOES-UHFFFAOYSA-N
Molecular formula
C13H12N2O3
Average molar mass
244.25 g/mol

Names & identifiers

Preferred name
2,4-Dimethoxy-5-pyrimidin-5-yl-benzaldehyde
IUPAC
2,4-dimethoxy-5-pyrimidin-5-ylbenzaldehyde

Names & synonyms

SCHEMBL6040878WBEPLOPDOYYOES-UHFFFAOYSA-N2,4-Dimethoxy-5-pyrimidin-5-yl-benzaldehyde

Database identifiers

PubChem CID
21980989

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
61.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
269

Related reactions

3 records
New reaction record
HRID 10637 reaction equation
HRID 10637As productuspto-grants-2006_08
HRID 10638 reaction equation
HRID 10638As reactantuspto-grants-2006_08
HRID 809425 reaction equation
HRID 809425As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes