Basic information
- CAS
66940-86-1- Standard SMILES
CCN1C(=O)NC(=O)C(CC)(CCC(C)C)C1=O- InChIKey
QTYGLICIRAZQSS-UHFFFAOYSA-N- Molecular formula
- C13H22N2O3
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.16304257
Names & identifiers
- Preferred name
- Barbituric acid, 1,5-diethyl-5-isopentyl-
- IUPAC
- 1,5-diethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
- English name
- 1,5-Diethyl-5-isopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C13H22N2O3
- Molecular weight
- 254.33
Names & synonyms
66940-86-1BARBITURIC ACID, 1,5-DIETHYL-5-ISOPENTYL-RefChem:10774821,5-Diethyl-5-isopentylbarbituric acidBRN 02349954-24-00-01958 (Beilstein Handbook Reference)DTXSID509856363,5-Diethyl-6-hydroxy-5-(3-methylbutyl)pyrimidine-2,4(3H,5H)-dione1,5-Diethyl-5-isopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,5-diethyl-5-(3-methylbutyl)-
Database identifiers
- CAS
66940-86-1- PubChem CID
- 48434
- DTXSID
DTXSID50985636- Nikkaji
- J105.458I
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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