Basic information
- CAS
67051-49-4- Standard SMILES
C=C(C)CC1(C(C)CC)C(=O)NC(=O)NC1=O- InChIKey
ABUZJQRBCJUTRH-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-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-butan-2-yl-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-Methyl-2-propenyl)-5-(1-methylpropyl)barbituric acid
- Molecular weight
- 0
Names & synonyms
67051-49-45-butan-2-yl-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trioneDTXSID602755355-(butan-2-yl)-5-(2-methylprop-2-en-1-yl)-1,3-diazinane-2,4,6-trione5-(2-Methyl-2-propenyl)-5-(1-methylpropyl)barbituric acid5-(2-Methyl-2-propenyl)-5-(1-methylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
67051-49-4- PubChem CID
- 49196
- DTXSID
DTXSID60275535- Nikkaji
- J105.716B
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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