2-(4-Bromophenyl)-1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidine
Basic information
- CAS
143696-99-5- Standard SMILES
Brc1ccc(-c2cn3c(n2)NCCC3)cc1- InChIKey
FQYJLUVFIWYCSA-UHFFFAOYSA-N- Molecular formula
- C12H12BrN3
- Average molar mass
- 278.15 g/mol
- Monoisotopic mass
- 277.02146
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidine
- IUPAC
- 2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
Names & synonyms
143696-99-52-(4-Bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine2-(4-bromophenyl)-1,5,6,7-tetrahydroimidazo[1,2-a]pyrimidineDTXSID00569687
Database identifiers
- CAS
143696-99-5- PubChem CID
- 136229488
- DTXSID
DTXSID00569687
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 29.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
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