Basic information
- Standard SMILES
Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CC2CCCC2)c1- InChIKey
SKYCPIQXNBOUFW-UHFFFAOYSA-N- Molecular formula
- C22H28N2O3
- Average molar mass
- 368.5 g/mol
Names & identifiers
- Preferred name
- 1-(Cyclopentyl)methyl-5-isopropyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione
- IUPAC
- 1-(cyclopentylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
Names & synonyms
CHEMBL557439SCHEMBL7068410SKYCPIQXNBOUFW-UHFFFAOYSA-NBDBM504806211-(Cyclopentyl)methyl-5-isopropyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione1-(cyclopentylmethyl)-6-(3,5-dimethylbenzoyl)-5-isopropyl-pyrimidine-2,4-dione1-[(Cyclopentyl)methyl]-5-isopropyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione
Database identifiers
- PubChem CID
- 474603
- ChEMBL
CHEMBL557439
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 636
Related reactions
2 records
Compound notes
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