5,6-diethyl-2-(3-hydroxyiminophenyl)-3-propargyl-4(3H)-pyrimidinone

HCID 136378385
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Basic information

Standard SMILES
C#CCn1c(C2=CC=CC(=NO)C2)nc(CC)c(CC)c1=O
InChIKey
QLHAWDNQKPRFKW-UHFFFAOYSA-N
Molecular formula
C17H19N3O2
Average molar mass
297.35 g/mol

Names & identifiers

Preferred name
5,6-diethyl-2-(3-hydroxyiminophenyl)-3-propargyl-4(3H)-pyrimidinone
IUPAC
5,6-diethyl-2-(5-hydroxyiminocyclohexa-1,3-dien-1-yl)-3-prop-2-ynylpyrimidin-4-one

Names & synonyms

SCHEMBL8676786QLHAWDNQKPRFKW-UHFFFAOYSA-N5,6-diethyl-2-(3-hydroxyiminophenyl)-3-propargyl-4(3H)-pyrimidinone

Database identifiers

PubChem CID
136378385

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
65.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
22

Related reactions

3 records
New reaction record

Linked notes

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