5-(2-Methylprop-2-enyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
Basic information
- CAS
17048-97-4- Standard SMILES
C=C(C)CC1(CC(C)C)C(=O)NC(=O)NC1=O- InChIKey
SMDPOYDWGZTPEP-UHFFFAOYSA-N- Molecular formula
- C12H18N2O3
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.13174244
Names & identifiers
- Preferred name
- 5-(2-Methylprop-2-enyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-(2-methylprop-2-enyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-Methylpropyl)-5-(2-methyl-2-propenyl)barbituric acid
- Molecular formula
- C12H18N2O3
- Molecular weight
- 238.28
Names & synonyms
17048-97-45-(2-methylprop-2-enyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trioneDTXSID20275571RefChem:299520DTXCID502270035-Isobutyl-5-(2-Methylallyl)Pyrimidine-2,4,6(1H,3H,5H)-Trione5-(2-methylprop-2-en-1-yl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trionepyrimidine-2,4,6(1H,3H,5H)-trione, 5-isobutyl-5-(2-methylallyl)-Butalbital Impurity L5-(2-Methylpropyl)-5-(2-methyl-2-propenyl)barbituric acid2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methyl-2-propen-1-yl)-5-(2-methylpropyl)-
Database identifiers
- CAS
17048-97-4- PubChem CID
- 52193
- DTXSID
DTXSID20275571- Nikkaji
- J54.589I
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 365
Physicochemical properties
- Density
- 1.069 · 1.069±0.06 g/cm3(Predicted)
- pka
- 7.79 · 7.79±0.10(Predicted)
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Compound notes
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