Basic information
- CAS
66968-49-8- Standard SMILES
CCC1(CC(C)C)C(=O)NC(=O)N(C)C1=O- InChIKey
FLXFFXNIDNSPTI-UHFFFAOYSA-N- Molecular formula
- C11H18N2O3
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.13174244
Names & identifiers
- Preferred name
- Barbituric acid, 5-ethyl-5-isobutyl-1-methyl-
- IUPAC
- 5-ethyl-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-Ethyl-5-isobutyl-1-methylbarbituric acid
- Molecular formula
- C11H18N2O3
- Molecular weight
- 226.27
Names & synonyms
66968-49-8BARBITURIC ACID, 5-ETHYL-5-ISOBUTYL-1-METHYL-RefChem:10776885-Ethyl-5-isobutyl-1-methylbarbituric acidBRN 0202266DTXSID909857565-Ethyl-6-hydroxy-3-methyl-5-(2-methylpropyl)pyrimidine-2,4(3H,5H)-dione5-Ethyl-5-isobutyl-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-methyl-5-(2-methylpropyl)-
Database identifiers
- CAS
66968-49-8- PubChem CID
- 48754
- DTXSID
DTXSID90985756- Nikkaji
- J105.547J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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