1-[2-(Cyclopent-3-en-1-yl)ethyl]-5-isopropyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione

HCID 474608
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Basic information

Standard SMILES
Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CCC2CC=CC2)c1
InChIKey
CIUYCGPZIOUMNU-UHFFFAOYSA-N
Molecular formula
C23H28N2O3
Average molar mass
380.5 g/mol

Names & identifiers

Preferred name
1-[2-(Cyclopent-3-en-1-yl)ethyl]-5-isopropyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione
IUPAC
1-(2-cyclopent-3-en-1-ylethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione

Names & synonyms

CHEMBL5499001-[2-(Cyclopent-3-en-1-yl)ethyl]-5-isopropyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedioneSCHEMBL8340329CIUYCGPZIOUMNU-UHFFFAOYSA-NBDBM504806431-(2-cyclopent-3-en-1-ylethyl)-6-(3,5-dimethylbenzoyl)-5-isopropyl-pyrimidine-2,4-dione

Database identifiers

PubChem CID
474608
ChEMBL
CHEMBL549900

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
66.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
28

Related reactions

2 records
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Compound notes

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