Basic information
- CAS
67050-40-2- Standard SMILES
C=CC(C)C1(C(C)CC)C(=O)NC(=O)NC1=O- InChIKey
FQUYQEIFAKMLBH-UHFFFAOYSA-N- Molecular formula
- C12H18N2O3
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.13174244
Names & identifiers
- Preferred name
- 5-(Butan-2-yl)-5-(but-3-en-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
- IUPAC
- 5-butan-2-yl-5-but-3-en-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 5-sec-Butyl-5-(1-methyl-2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C12H18N2O3
- Molecular weight
- 238.28
Names & synonyms
67050-40-2DTXSID002755345-(Butan-2-yl)-5-(but-3-en-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione5-(Butan-2-yl)-5-(but-3-en-2-yl)-1,3-diazinane-2,4,6-trione5-sec-Butyl-5-(1-methyl-2-propenyl)barbituric acid5-sec-Butyl-5-(1-methyl-2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methyl-2-propen-1-yl)-5-(1-methylpropyl)-
Database identifiers
- CAS
67050-40-2- PubChem CID
- 49192
- DTXSID
DTXSID00275534- Nikkaji
- J93.554I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Density
- 1.089 · 1.089±0.06 g/cm3(Predicted)
- pka
- 7.82 · 7.82±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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