General
Preferred name
N(6)-dimethylallyladenine
Synonyms
N6-(2-lsopentenyl)adenine ()
6-(¦Ã,¦Ã-Dimethylallylamino)purine ()
6-(??,??-Dimethylallylamino)purine ()
Triacanthine ()
6-(????Dimethylallylamino)purine ()
N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE ()
6-(γ,γ-Dimethylallylamino)purine ()
N6-(.delta.2-Isopentenyl)adenine ()
P&D ID
PD004549
CAS
2365-40-4
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
6
Cayman Chemical Bioactives
17906
DrugBank
DB08768
DrugMAP
DM2D4KY
MedChem Express Bioactive Compound Library
HY-112103
Selleckchem Bioactive Compound Library
triacanthine
TargetMol Bioactive Compound Library
T5581
External IDs
44
Properties
(calculated by RDKit )
Molecular Weight
203.12
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
0
cLogP
1.68
TPSA
66.49
Fraction CSP3
0.3
Chiral centers
0.0
Largest ring
6.0
QED
0.74
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data