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

HCID 474606
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Basic information

Standard SMILES
CCc1c(C(=O)c2cc(C)cc(C)c2)n(CCC2=CCCC2)c(=O)[nH]c1=O
InChIKey
QNFAHNYDCZHOBF-UHFFFAOYSA-N
Molecular formula
C22H26N2O3
Average molar mass
366.5 g/mol
Monoisotopic mass
366.1943427

Names & identifiers

Preferred name
1-[2-(Cyclopent-1-en-1-yl)ethyl]-5-ethyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione
IUPAC
1-[2-(cyclopenten-1-yl)ethyl]-6-(3,5-dimethylbenzoyl)-5-ethylpyrimidine-2,4-dione

Names & synonyms

CHEMBL5577101-[2-(Cyclopent-1-en-1-yl)ethyl]-5-ethyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedioneSCHEMBL7068567QNFAHNYDCZHOBF-UHFFFAOYSA-NBDBM504806581-[2-(cyclopenten-1-yl)ethyl]-6-(3,5-dimethylbenzoyl)-5-ethyl-pyrimidine-2,4-dione

Database identifiers

PubChem CID
474606
ChEMBL
CHEMBL557710

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
66.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
27

Related reactions

2 records
New reaction record

Linked notes

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