4-[6-bromo-2-(2,2,2-trifluoroethoxy)-1H-1,3-benzodiazol-1-yl]pyrimidin-2-amine

HCID 68181583

Basic information

Standard SMILES
Nc1nccc(-n2c(OCC(F)(F)F)nc3ccc(Br)cc32)n1
InChIKey
AUBMTPDKPQSTTR-UHFFFAOYSA-N
Molecular formula
C13H9BrF3N5O
Average molar mass
388.14 g/mol

Names & identifiers

Preferred name
4-[6-bromo-2-(2,2,2-trifluoroethoxy)-1H-1,3-benzodiazol-1-yl]pyrimidin-2-amine
IUPAC
4-[6-bromo-2-(2,2,2-trifluoroethoxy)benzimidazol-1-yl]pyrimidin-2-amine

Names & synonyms

4-[6-bromo-2-(2,2,2-trifluoroethoxy)-1H-1,3-benzodiazol-1-yl]pyrimidin-2-amineSCHEMBL119704824-[6-bromo-2-(2,2,2-trifluoro ethoxy)-1H-1,3-benzodiazol-1-yl]pyrimidin-2-amine

Database identifiers

PubChem CID
68181583

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
78.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
3
Heavy atoms
23

Related reactions

3 records

Compound notes

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