Basic information
- Standard SMILES
Nc1nccc(-n2c(OC3COC3)nc3ccc(Br)cc32)n1- InChIKey
DLCZVVPIZADIFL-UHFFFAOYSA-N- Molecular formula
- C14H12BrN5O2
- Average molar mass
- 362.18 g/mol
- Monoisotopic mass
- 361.01744
Names & identifiers
- Preferred name
- 4-[6-Bromo-2-(oxetan-3-yloxy)-1,3-benzodiazol-1-yl]pyrimidin-2-amine
- IUPAC
- 4-[6-bromo-2-(oxetan-3-yloxy)benzimidazol-1-yl]pyrimidin-2-amine
Names & synonyms
SCHEMBL11970487DLCZVVPIZADIFL-UHFFFAOYSA-N4-[6-bromo-2-(oxetan-3-yloxy)-1,3-benzodiazol-1-yl]pyrimidin-2-amine4-[6-bromo-2-(oxetan-3-yloxy)-1H-1,3-benzodiazol-1-yl]pyrimidin-2-amine
Database identifiers
- PubChem CID
- 68181588
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 399
Related reactions
5 records
Compound notes
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