5-Butyl-5-(2-methylbutyl)-1,3-diazinane-2,4,6-trione
Basic information
- CAS
67050-49-1- Standard SMILES
CCCCC1(CC(C)CC)C(=O)NC(=O)NC1=O- InChIKey
VXPZOGWWCLRTKF-UHFFFAOYSA-N- Molecular formula
- C13H22N2O3
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.16304257
Names & identifiers
- Preferred name
- 5-Butyl-5-(2-methylbutyl)-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-butyl-5-(2-methylbutyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-Butyl-5-(2-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C13H22N2O3
- Molecular weight
- 254.33
Names & synonyms
67050-49-15-butyl-5-(2-methylbutyl)-1,3-diazinane-2,4,6-trioneDTXSID202755365-Butyl-5-(2-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione5-Butyl-5-(2-methylbutyl)barbituric acid5-Butyl-5-(2-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-(2-methylbutyl)-
Database identifiers
- CAS
67050-49-1- PubChem CID
- 49204
- DTXSID
DTXSID20275536- Nikkaji
- J93.565D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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