1-(Cyclopentyl)methyl-5-ethyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione

HCID 474604
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Basic information

Standard SMILES
CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC2CCCC2)c(=O)[nH]c1=O
InChIKey
PEXQXFKPBORMLV-UHFFFAOYSA-N
Molecular formula
C21H26N2O3
Average molar mass
354.4 g/mol
Monoisotopic mass
354.1943427

Names & identifiers

Preferred name
1-(Cyclopentyl)methyl-5-ethyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione
IUPAC
1-(cyclopentylmethyl)-6-(3,5-dimethylbenzoyl)-5-ethylpyrimidine-2,4-dione

Names & synonyms

CHEMBL554520SCHEMBL7067487PEXQXFKPBORMLV-UHFFFAOYSA-NBDBM504806481-(Cyclopentyl)methyl-5-ethyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione1-(cyclopentylmethyl)-6-(3,5-dimethylbenzoyl)-5-ethyl-pyrimidine-2,4-dione1-[(Cyclopentyl)methyl]-5-ethyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione

Database identifiers

PubChem CID
474604
ChEMBL
CHEMBL554520

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
66.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
26

Related reactions

2 records
New reaction record

Linked notes

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