Basic information
- CAS
66940-81-6- Standard SMILES
CCC1(CC)C(=O)NC(=O)N(C(C)(C)CC)C1=O- InChIKey
FTNKYOPECSBLHC-UHFFFAOYSA-N- Molecular formula
- C13H22N2O3
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.16304257
Names & identifiers
- Preferred name
- Barbituric acid, 5,5-diethyl-1-(1,1-dimethylpropyl)-
- IUPAC
- 5,5-diethyl-1-(2-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione
- English name
- 5,5-Diethyl-1-(1,1-dimethylpropyl)barbituric acid
- Molecular formula
- C13H22N2O3
- Molecular weight
- 254.33
Names & synonyms
BRN 02352935,5-Diethyl-(1,1-dimethylpropyl)barbituric acidBARBITURIC ACID, 5,5-DIETHYL-1-(1,1-DIMETHYLPROPYL)-66940-81-6DTXSID802170984-24-00-01907 (Beilstein Handbook Reference)RefChem:320642DTXCID801395895,5-diethyl-1-(2-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione5,5-Diethyl-1-(1,1-dimethylpropyl)barbituric acid5,5-Diethyl-1-(1,1-dimethylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(1,1-dimethylpropyl)-5,5-diethyl-
Database identifiers
- CAS
66940-81-6- PubChem CID
- 48429
- DTXSID
DTXSID80217098- Nikkaji
- J105.454F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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