Basic information
- CAS
28239-49-8- Standard SMILES
C=CCC1(C(C)CCC)C(=O)N(C)C(=O)N(C)C1=O- InChIKey
KKPCLTFASPTTIQ-UHFFFAOYSA-N- Molecular formula
- C14H22N2O3
- Average molar mass
- 266.34 g/mol
- Monoisotopic mass
- 266.16304257
Names & identifiers
- Preferred name
- Barbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)-
- IUPAC
- 1,3-dimethyl-5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Allyl-1,3-dimethyl-5-(1-methylbutyl)barbituric acid
- Molecular weight
- 0
Names & synonyms
N,N-DimethylquinalbarbitoneBarbituric acid, 5-allyl-1,3-dimethyl-5-(1-methylbutyl)-Secobarbital, (bis-Me)1,3-DimethylsecobarbitalSecobarbital, 1,3-dimethylDTXSID50335556KKPCLTFASPTTIQ-UHFFFAOYSA-N1,3-dimethyl-5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione1,3-dimethyl-5-(pentan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(1-methylbutyl)-5-(2-propenyl)-28239-49-81,3-dimethyl-5-allyl-5-(1-methylbutyl)-barbituric acid
Show more names
5-Allyl-1,3-dimethyl-5-(1-methylbutyl)barbituric acid1,3-Dimethyl-5-(1-methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
5-Allyl-1,3-dimethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
28239-49-8- PubChem CID
- 525966
- DTXSID
DTXSID50335556- Nikkaji
- J124.312H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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