1-(Cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-isopropyl-pyrimidine-2,4-dione
Basic information
- Standard SMILES
Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CC=CC2)c1- InChIKey
MEZMBROMYHPJEC-UHFFFAOYSA-N- Molecular formula
- C21H26N2O2S
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.17149925
Names & identifiers
- Preferred name
- 1-(Cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-isopropyl-pyrimidine-2,4-dione
- IUPAC
- 1-(cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidine-2,4-dione
Names & synonyms
CHEMBL556483SCHEMBL7070555MEZMBROMYHPJEC-UHFFFAOYSA-NBDBM504806281-(cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-isopropyl-pyrimidine-2,4-dione1-[(Cyclopent-3-en-1-yl)methyl]-5-isopropyl-6-(3,5-dimethylphenylthio) -2,4-pyrimidinedione1-[(Cyclopent-3-en-1-yl)methyl]-5-isopropyl-6-(3,5-dimethylphenylthio)-2,4-pyrimidinedione
Database identifiers
- PubChem CID
- 474592
- ChEMBL
CHEMBL556483
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 608
Related reactions
2 records
Compound notes
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