1-(3-[[1-(2-aminopyrimidin-4-yl)-6-bromo-1H-1,3-benzodiazol-2-yl]oxy]azetidin-1-yl)ethan-1-one

HCID 68181746
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Basic information

Standard SMILES
CC(=O)N1CC(Oc2nc3ccc(Br)cc3n2-c2ccnc(N)n2)C1
InChIKey
VUKHMRZBIIBAFD-UHFFFAOYSA-N
Molecular formula
C16H15BrN6O2
Average molar mass
403.23 g/mol
Monoisotopic mass
402.04399

Names & identifiers

Preferred name
1-(3-[[1-(2-aminopyrimidin-4-yl)-6-bromo-1H-1,3-benzodiazol-2-yl]oxy]azetidin-1-yl)ethan-1-one
IUPAC
1-[3-[1-(2-aminopyrimidin-4-yl)-6-bromobenzimidazol-2-yl]oxyazetidin-1-yl]ethanone

Names & synonyms

SCHEMBL11970770VUKHMRZBIIBAFD-UHFFFAOYSA-N1-(3-[[1-(2-aminopyrimidin-4-yl)-6-bromo-1H-1,3-benzodiazol-2-yl]oxy]azetidin-1-yl)ethan-1-one

Database identifiers

PubChem CID
68181746

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
99.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
25

Related reactions

2 records
New reaction record

Compound notes

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