6-ethyl-5-methoxycarbonylmethyl-2-phenyl-3-propargyl-4(3H)-pyrimidinone

HCID 19690697
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Basic information

Standard SMILES
C#CCn1c(-c2ccccc2)nc(CC)c(CC(=O)OC)c1=O
InChIKey
JFIBSAMROVJNBI-UHFFFAOYSA-N
Molecular formula
C18H18N2O3
Average molar mass
310.3 g/mol
Monoisotopic mass
310.13174244

Names & identifiers

Preferred name
6-ethyl-5-methoxycarbonylmethyl-2-phenyl-3-propargyl-4(3H)-pyrimidinone
IUPAC
methyl 2-(4-ethyl-6-oxo-2-phenyl-1-prop-2-ynylpyrimidin-5-yl)acetate

Names & synonyms

SCHEMBL8678398JFIBSAMROVJNBI-UHFFFAOYSA-N6-ethyl-5-methoxycarbonylmethyl-2-phenyl-3-propargyl-4(3H)-pyrimidinone

Database identifiers

PubChem CID
19690697

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
59 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
23

Related reactions

4 records
New reaction record

Linked notes

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