5-Bromo-1-ethyl-1,2-dihydro-2-iminopyrimidine monohydriodide
Basic information
- CAS
4093-93-0- Standard SMILES
CCn1cc(Br)cnc1=N.I- InChIKey
RIKLLHKFKUPHIF-UHFFFAOYSA-N- Molecular formula
- C6H9BrIN3
- Average molar mass
- 329.96 g/mol
- Monoisotopic mass
- 328.90246
Names & identifiers
- Preferred name
- 5-Bromo-1-ethyl-1,2-dihydro-2-iminopyrimidine monohydriodide
- IUPAC
- 5-bromo-1-ethylpyrimidin-2-imine;hydroiodide
Names & synonyms
4093-93-0DTXSID809613075-Bromo-1-ethyl-1,2-dihydro-2-iminopyrimidine monohydriodide5-Bromo-1-ethylpyrimidin-2(1H)-imine--hydrogen iodide (1/1)Pyrimidine, 5-bromo-1-ethyl-1,2-dihydro-2-imino-, monohydriodide
Database identifiers
- CAS
4093-93-0- PubChem CID
- 134476
- DTXSID
DTXSID80961307
Properties
Computed structural properties
- Topological polar surface area
- 39.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 207
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Compound notes
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