Basic information
- CAS
66942-11-8- Standard SMILES
C=C(C)CC1(CC(=C)Br)C(=O)NC(=O)NC1=O- InChIKey
ZKPRRHNKRILFMZ-UHFFFAOYSA-N- Molecular formula
- C11H13BrN2O3
- Average molar mass
- 301.14 g/mol
- Monoisotopic mass
- 300.01095
Names & identifiers
- Preferred name
- 5-(2-Bromoprop-2-en-1-yl)-5-(2-methylprop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
- IUPAC
- 5-(2-bromoprop-2-enyl)-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-Bromo-2-propenyl)-5-(2-methyl-2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C11H13BrN2O3
- Molecular weight
- 301.14
Names & synonyms
66942-11-8DTXSID902755285-(2-bromoprop-2-en-1-yl)-5-(2-methylprop-2-en-1-yl)-1,3-diazinane-2,4,6-trione5-(2-Bromoprop-2-en-1-yl)-5-(2-methylprop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione5-(2-Bromo-2-propenyl)-5-(2-methyl-2-propenyl)barbituric acid5-(2-Bromo-2-propenyl)-5-(2-methyl-2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propen-1-yl)-5-(2-methyl-2-propen-1-yl)-
Database identifiers
- CAS
66942-11-8- PubChem CID
- 48596
- DTXSID
DTXSID90275528- Nikkaji
- J93.496H
Properties
Computed structural properties
- XLogP
- 2
- 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
- 408
Physicochemical properties
- Density
- 1.406 · 1.406±0.06 g/cm3(Predicted)
- pka
- 7.67 · 7.67±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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