Basic information
- CAS
7286-76-2- Standard SMILES
Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Br- InChIKey
BSWOMKORDXSSKG-UHFFFAOYSA-N- Molecular formula
- C9H13BrN2O2
- Average molar mass
- 261.12 g/mol
- Monoisotopic mass
- 260.01604
Names & identifiers
- Preferred name
- 5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 5-bromo-3-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione
- English name
- Compound-733
- Molecular formula
- C9H13BrN2O2
- Molecular weight
- 261.118
Names & synonyms
7286-76-2Uracil, 5-bromo-3-tert-butyl-6-methyl-DTXSID10223162RefChem:1072720DTXCID101456535-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione5-bromo-3-(tert-butyl)-6-methylpyrimidine-2,4(1H,3H)-dioneCompound 7335-Bromo-3-tert-butyl-6-methyluracilCHEMBL5008275SCHEMBL10672156HMS1757H09
Show more names
DP 733DuP-733Du-Pont 733Du Pont-733Compound-733
5-bromo-3-t-butyl-6-methyluracilSTK6378342,4(1H,3H)-Pyrimidinedione, 5-bromo-3-(1,1-dimethylethyl)-6-methyl-AKOS000533390AKOS005569356SR-01000445713SR-01000445713-1Z56904629
Database identifiers
- CAS
7286-76-2- PubChem CID
- 23713
- DTXSID
DTXSID10223162- ChEMBL
CHEMBL5008275- Nikkaji
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 188 °C · 188°C
- Density
- 1.5552 · 1.5552 (rough estimate)
- refractive index
- 1.541 · 1.5410 (estimate)
- Water Solubility
- 0.41 g/L · 0.41g/L(25 ºC)
Chemistry & industry
Suppliers2 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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