Basic information
- CAS
66940-99-6- Standard SMILES
CC(C)CC(C)C1(C)C(=O)NC(=O)NC1=O- InChIKey
YIWHSXSQNWABEX-UHFFFAOYSA-N- Molecular formula
- C11H18N2O3
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.13174244
Names & identifiers
- Preferred name
- Barbituric acid, 5-(1,3-dimethylbutyl)-5-methyl-
- IUPAC
- 5-methyl-5-(4-methylpentan-2-yl)-1,3-diazinane-2,4,6-trione
- English name
- 5-(1,3-Dimethylbutyl)-5-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C11H18N2O3
- Molecular weight
- 226.27
Names & synonyms
66940-99-6BARBITURIC ACID, 5-(1,3-DIMETHYLBUTYL)-5-METHYL-RefChem:10775265-(1,3-Dimethylbutyl)-5-methylbarbituric acidBRN 0211101NSC120801NSC 120801NSC-120801Barbituric acid,3-dimethylbutyl)-5-methyl-2,6(1H,3H,5H)-Pyrimidinetrione, 5-(1,3-dimethylbutyl)-5-methyl-5-(1,3-Dimethylbutyl)-5-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1,3-dimethylbutyl)-5-methyl-
Database identifiers
- CAS
66940-99-6- PubChem CID
- 48447
- Nikkaji
- J105.476G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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