Basic information
- CAS
66968-55-6- Standard SMILES
CCC1(CCC(C)C)C(=O)NC(=O)N(c2ccccc2)C1=O- InChIKey
YEAUIGJGKUKBDE-UHFFFAOYSA-N- Molecular formula
- C17H22N2O3
- Average molar mass
- 302.37 g/mol
- Monoisotopic mass
- 302.16304257
Names & identifiers
- Preferred name
- Barbituric acid, 5-ethyl-5-isopentyl-1-phenyl-
- IUPAC
- 5-ethyl-5-(3-methylbutyl)-1-phenyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Ethyl-5-isopentyl-1-phenylbarbituric acid
- Molecular formula
- C17H22N2O3
- Molecular weight
- 302.37
Names & synonyms
BARBITURIC ACID, 5-ETHYL-5-ISOPENTYL-1-PHENYL-66968-55-6RefChem:1077692MLS0033738375-Ethyl-5-isopentyl-1-phenylbarbituric acidNSC521929CHEMBL2360592NSC 521929NSC-521929SMR002048632DS-0015442,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-methylbutyl)-1-phenyl-
Show more names
5-Ethyl-5-isopentyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-methylbutyl)-1-phenyl-
Database identifiers
- CAS
66968-55-6- PubChem CID
- 48762
- ChEMBL
CHEMBL2360592- Nikkaji
- J105.557G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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