2-(5-Bromo-2-fluorophenyl)-4-[(3,3-dimethylbutyl)(4-pyridyl)amino]pteridine

HCID 57742372
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Basic information

Standard SMILES
CC(C)(C)CCN(c1ccncc1)c1nc(-c2cc(Br)ccc2F)nc2nccnc12
InChIKey
FSCGNJHXNXBAGV-UHFFFAOYSA-N
Molecular formula
C23H22BrFN6
Average molar mass
481.4 g/mol

Names & identifiers

Preferred name
2-(5-Bromo-2-fluorophenyl)-4-[(3,3-dimethylbutyl)(4-pyridyl)amino]pteridine
IUPAC
2-(5-bromo-2-fluorophenyl)-N-(3,3-dimethylbutyl)-N-pyridin-4-ylpteridin-4-amine

Names & synonyms

SCHEMBL2128821FSCGNJHXNXBAGV-UHFFFAOYSA-N2-(5-bromo-2-fluorophenyl)-4-[(3,3-dimethylbutyl)(4-pyridyl)amino]pteridine

Database identifiers

PubChem CID
57742372

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
67.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
31

Related reactions

1 records
New reaction record

Linked notes

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