Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC2CC2C1CNc1ncc(Br)cn1- InChIKey
WASOSHVDHHFPSE-UHFFFAOYSA-N- Molecular formula
- C15H21BrN4O2
- Average molar mass
- 369.26 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
- IUPAC
- tert-butyl 2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
Names & synonyms
SCHEMBL2931957
Database identifiers
- PubChem CID
- 68445839
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 420
Related reactions
2 records
Compound notes
Loading…