5-((3-Bromo-2-furyl)methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Basic information
- CAS
892151-65-4- Standard SMILES
CN1C(=O)C(=Cc2occc2Br)C(=O)N(C)C1=O- InChIKey
XMLIKYVIQXWXRU-UHFFFAOYSA-N- Molecular formula
- C11H9BrN2O4
- Average molar mass
- 313.1 g/mol
- Monoisotopic mass
- 311.97457
Names & identifiers
- Preferred name
- 5-((3-Bromo-2-furyl)methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- IUPAC
- 5-[(3-bromofuran-2-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Names & synonyms
AKOS0244118685-((3-BROMO-2-FURYL)METHYLENE)-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
Database identifiers
- CAS
892151-65-4- PubChem CID
- 4337216
- EC Number
- 131-582-5
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 422
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