6-(5-bromo-2-fluoropyridin-3-yl)-2-methyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purine

HCID 59548464
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1nc(-c2cc(Br)cnc2F)c2ncn(C3CCCCO3)c2n1
InChIKey
NDZNOAJQJSGSBR-UHFFFAOYSA-N
Molecular formula
C16H15BrFN5O
Average molar mass
392.23 g/mol

Names & identifiers

Preferred name
6-(5-bromo-2-fluoropyridin-3-yl)-2-methyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purine
IUPAC
6-(5-bromo-2-fluoro-3-pyridinyl)-2-methyl-9-(oxan-2-yl)purine

Names & synonyms

SCHEMBL115879NDZNOAJQJSGSBR-UHFFFAOYSA-N6-(5-bromo-2-fluoropyridin-3-yl)-2-methyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purine

Database identifiers

PubChem CID
59548464

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
65.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
24

Related reactions

4 records
New reaction record

Compound notes

Loading…