Basic information
- CAS
67051-48-3- Standard SMILES
C=C(C)CC1(C(C)C)C(=O)NC(=O)NC1=O- InChIKey
REIXBXPKTXRRLA-UHFFFAOYSA-N- Molecular formula
- C11H16N2O3
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.11609238
Names & identifiers
- Preferred name
- 5-(2-Methylprop-2-enyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-(2-methylprop-2-enyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-Methyl-2-propenyl)-5-(1-methylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C11H16N2O3
- Molecular weight
- 224.26
Names & synonyms
5-(2-methylprop-2-enyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione67051-48-3DTXSID002755395-(2-methylprop-2-en-1-yl)-5-(propan-2-yl)-1,3-diazinane-2,4,6-trione5-(2-Methyl-2-propenyl)-5-(1-methylethyl)barbituric acid5-(2-Methyl-2-propenyl)-5-(1-methylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-methyl-2-propen-1-yl)-
Database identifiers
- CAS
67051-48-3- PubChem CID
- 49310
- DTXSID
DTXSID00275539- Nikkaji
- J105.715D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Melting point
- 163 · 163-164 °C
- Density
- 1.099 · 1.099±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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