Barbituric acid, 1,3-dimethyl-5-ethyl-5-(1-methylbutyl)-
Basic information
- CAS
28239-47-6- Standard SMILES
CCCC(C)C1(CC)C(=O)N(C)C(=O)N(C)C1=O- InChIKey
VZZFPHAKJNPXQY-UHFFFAOYSA-N- Molecular formula
- C13H22N2O3
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.16304257
Names & identifiers
- Preferred name
- Barbituric acid, 1,3-dimethyl-5-ethyl-5-(1-methylbutyl)-
- IUPAC
- 5-ethyl-1,3-dimethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 5-Ethyl-1,3-dimethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular weight
- 0
Names & synonyms
28239-47-6BARBITURIC ACID, 1,3-DIMETHYL-5-ETHYL-5-(1-METHYLBUTYL)-RefChem:1077475Dimethylpentobarbital1,3-DimethylpentobarbitalN,N'-Dimethylpentobarbital1,3-Dimethyl-5-ethyl-5-(1-methylbutyl)barbituric acid2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1,3-dimethyl-5-(1-methylbuthyl)-BRN 0235039Pentobarbital, 1,3-dimethylDTXSID50950960VZZFPHAKJNPXQY-UHFFFAOYSA-N
Show more names
5-Ethyl-1,3-dimethyl-5-(1-methylbutyl)barbituric acid
Barbituric acid, 5-ethyl-1,3-dimethyl-5-(1-methylbutyl)-5-Ethyl-1,3-dimethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione5-ETHYL-1,3-DIMETHYL-5-(PENTAN-2-YL)-1,3-DIAZINANE-2,4,6-TRIONE2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1,3-dimethyl-5-(1-methylbutyl)-1,3-Dimethyl derivative of PentobarbitalNS00113950
Database identifiers
- CAS
28239-47-6- PubChem CID
- 34189
- DTXSID
DTXSID50950960- Nikkaji
- J103.596G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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