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5-(2,4-Dimethoxy-pyrimidin-5-yl)-2,4-dimethoxy-benzaldehyde

HCID 21981111
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ncc(-c2cc(C=O)c(OC)cc2OC)c(OC)n1
InChIKey
LIZIPSHCUMLPJN-UHFFFAOYSA-N
Molecular formula
C15H16N2O5
Average molar mass
304.3 g/mol

Names & identifiers

Preferred name
5-(2,4-Dimethoxy-pyrimidin-5-yl)-2,4-dimethoxy-benzaldehyde
IUPAC
5-(2,4-dimethoxypyrimidin-5-yl)-2,4-dimethoxybenzaldehyde

Names & synonyms

SCHEMBL6040486LIZIPSHCUMLPJN-UHFFFAOYSA-N5-(2,4-Dimethoxy-pyrimidin-5-yl)-2,4-dimethoxy-benzaldehyde

Database identifiers

PubChem CID
21981111

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
79.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
22
Formal charge
0
Complexity
357

Related reactions

3 records
New reaction record
HRID 10649 reaction equation
HRID 10649As productuspto-grants-2006_08
HRID 10650 reaction equation
HRID 10650As reactantuspto-grants-2006_08
HRID 284515 reaction equation
HRID 284515As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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