Basic information
- CAS
102571-44-8- Standard SMILES
CCCCn1c(C)c(NC(=O)C[N+](C)(C)C)c(=O)n(C)c1=O.[Br-]- InChIKey
YZTHWXCUFZFJTJ-UHFFFAOYSA-N- Molecular formula
- C15H27BrN4O3
- Average molar mass
- 391.3 g/mol
- Monoisotopic mass
- 390.12665
Names & identifiers
- Preferred name
- N-(1-Butyl-3,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-(trimethylazaniumyl)ethanimidate--hydrogen bromide (1/1)
- IUPAC
- [2-[(1-butyl-3,6-dimethyl-2,4-dioxopyrimidin-5-yl)amino]-2-oxoethyl]-trimethylazanium bromide
Names & synonyms
102571-44-8DTXSID80907760N-(1-Butyl-3,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-(trimethylazaniumyl)ethanimidate--hydrogen bromide (1/1)RefChem:1090782DTXCID701336849Ammonium, (((1-butyl-3,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbamoyl)methyl)trimethyl-, bromide
Database identifiers
- CAS
102571-44-8- PubChem CID
- 59538
Properties
Computed structural properties
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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