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5-Ethoxycarbonyl 4-ethoxy 2-ethyl pyrimidine

HCID 12901692
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOC(=O)c1cnc(CC)nc1OCC
InChIKey
XCJAOWUGIHEVLT-UHFFFAOYSA-N
Molecular formula
C11H16N2O3
Average molar mass
224.26 g/mol

Names & identifiers

Preferred name
5-Ethoxycarbonyl 4-ethoxy 2-ethyl pyrimidine
IUPAC
ethyl 4-ethoxy-2-ethylpyrimidine-5-carboxylate

Names & synonyms

SCHEMBL11358294XCJAOWUGIHEVLT-UHFFFAOYSA-N5-ethoxycarbonyl 4-ethoxy 2-ethyl pyrimidine

Database identifiers

PubChem CID
12901692

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
61.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
16
Formal charge
0
Complexity
223

Related reactions

2 records
New reaction record
HRID 1224059 reaction equation
HRID 1224059As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1413437 reaction equation
HRID 1413437As productuspto-grants-1981_02

Compound notes

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