1-tert-butyl-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

HCID 59633695
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21
InChIKey
VSTSONLSTXAOBD-UHFFFAOYSA-N
Molecular formula
C21H21N5O
Average molar mass
359.4 g/mol

Names & identifiers

Preferred name
1-tert-butyl-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
IUPAC
1-tert-butyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Names & synonyms

SCHEMBL3617461VSTSONLSTXAOBD-UHFFFAOYSA-N1-tert-butyl-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Database identifiers

PubChem CID
59633695
Nikkaji
J1.786.454H

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
78.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
27

Related reactions

3 records
New reaction record

Compound notes

Loading…