Basic information
- CAS
66940-85-0- Standard SMILES
CCC(CC)N1C(=O)NC(=O)C(CC)(CC)C1=O- InChIKey
IUYHGQZROUPWJC-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-ethylpropyl)-
- IUPAC
- 5,5-diethyl-1-pentan-3-yl-1,3-diazinane-2,4,6-trione
- English name
- 5,5-Diethyl-1-(1-ethylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C13H22N2O3
- Molecular weight
- 254.33
Names & synonyms
BARBITURIC ACID, 5,5-DIETHYL-1-(1-ETHYLPROPYL)-66940-85-0BRN 02350415,5-Diethyl-1-(1-ethylpropyl)barbituric acidDTXSID502171015,5-diethyl-1-(pentan-3-yl)-1,3-diazinane-2,4,6-trione5,5-Diethyl-1-(1-ethylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-(1-ethylpropyl)-
Database identifiers
- CAS
66940-85-0- PubChem CID
- 48433
- DTXSID
DTXSID50217101- Nikkaji
- J105.457K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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