1-(Cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylphenoxy)-5-ethyl-pyrimidine-2,4-dione
Basic information
- Standard SMILES
CCc1c(Oc2cc(C)cc(C)c2)n(CC2CC=CC2)c(=O)[nH]c1=O- InChIKey
VJVSKXBFTMFEML-UHFFFAOYSA-N- Molecular formula
- C20H24N2O3
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.17869263
Names & identifiers
- Preferred name
- 1-(Cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylphenoxy)-5-ethyl-pyrimidine-2,4-dione
- IUPAC
- 1-(cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione
Names & synonyms
CHEMBL561783SCHEMBL7070522VJVSKXBFTMFEML-UHFFFAOYSA-NBDBM504806061-(cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylphenoxy)-5-ethyl-pyrimidine-2,4-dione1-[(Cyclopent-3-en-1-yl) methyl]-5-ethyl-6-(3,5-dimethylphenoxy)-2,4-pyrimidinedione1-[(Cyclopent-3-en-1-yl)methyl]-5-ethyl-6-(3,5-dimethylphenoxy)-2,4-pyrimidinedione
Database identifiers
- PubChem CID
- 474595
- ChEMBL
CHEMBL561783
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 578
Related reactions
2 records
Compound notes
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