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Diethyl pyrimidine-2,4-dicarboxylate

HCID 66701935
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1ccnc(C(=O)OCC)n1
InChIKey
QMKOOFGZHMSBLD-UHFFFAOYSA-N
Molecular formula
C10H12N2O4
Average molar mass
224.21 g/mol

Names & identifiers

Preferred name
Diethyl pyrimidine-2,4-dicarboxylate
IUPAC
diethyl pyrimidine-2,4-dicarboxylate

Names & synonyms

diethyl pyrimidine-2,4-dicarboxylateSCHEMBL489624QMKOOFGZHMSBLD-UHFFFAOYSA-NSY522718pyrimidine-2,6-dicarboxylic acid diethyl ester1257266-87-7

Database identifiers

PubChem CID
66701935

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
78.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
16
Formal charge
0
Complexity
257

Related reactions

5 records
New reaction record
HRID 942393 reaction equation
HRID 942393As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1469672 reaction equation
HRID 1469672As productuspto-grants-2015_04
HRID 1469673 reaction equation
HRID 1469673As reactantuspto-grants-2015_04
HRID 2384095 reaction equation
HRID 2384095As productuspto-grants-2012_09
HRID 2384096 reaction equation
HRID 2384096As reactantuspto-grants-2012_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes