2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-bromo-5-ethyl-
Basic information
- CAS
5750-82-3- Standard SMILES
CCC1(Br)C(=O)NC(=O)NC1=O- InChIKey
LZAPUUNDQAWAKL-UHFFFAOYSA-N- Molecular formula
- C6H7BrN2O3
- Average molar mass
- 235.04 g/mol
- Monoisotopic mass
- 233.964
Names & identifiers
- Preferred name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-bromo-5-ethyl-
- IUPAC
- 5-bromo-5-ethyl-1,3-diazinane-2,4,6-trione
Names & synonyms
5750-82-32,4,6(1H,3H,5H)-Pyrimidinetrione, 5-bromo-5-ethyl-NSC55882NSC 558825-bromo-5-ethyl-1,3-diazinane-2,4,6-trioneDTXSID10206117NSC-558825-bromo-5-ethyl-hexahydropyrimidine-2,4,6-trione
Database identifiers
- CAS
5750-82-3- PubChem CID
- 244757
- DTXSID
DTXSID10206117
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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