N',N'-dimethyl-N-(4-methylsulfanyl-6-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine;hydrobromide
Basic information
- CAS
113669-47-9- Standard SMILES
Br.CSc1cc(-c2cccs2)nc(NCCN(C)C)n1- InChIKey
RBMPHLCOCDNFDB-UHFFFAOYSA-N- Molecular formula
- C13H19BrN4S2
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 374.02345
Names & identifiers
- Preferred name
- N',N'-dimethyl-N-(4-methylsulfanyl-6-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine;hydrobromide
- IUPAC
- N',N'-dimethyl-N-(4-methylsulfanyl-6-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine;hydrobromide
Names & synonyms
113669-47-9DTXSID30921153N-(2''-Dimethylaminoethyl)-4-methylthio-6-thien-2'-ylpyrimidin-2-amine hydrobromideN,N-Dimethyl-2-{[4-(methylsulfanyl)-6-(thiophen-2-yl)pyrimidin-2(1H)-ylidene]amino}ethan-1-amine--hydrogen bromide (1/1)
Database identifiers
- CAS
113669-47-9- PubChem CID
- 188792
- DTXSID
DTXSID30921153
Properties
Computed structural properties
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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