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CAY10498

CAT: 0013-GTR19190591-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190591-02Size:1 mg
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Description
CAY10498
CAS Number
863202-33-9
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
N (C1=C2C (=NC (NC3=CC=CC=C3) =N1) N=CN2) [C@H]4[C@@]5 (C[C@] (C4) (CC5) [H]) [H]
Molecular Formula
C18H20N6
Molecular Weight
320.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-phenyl-amino-N6-endo-norbornyladenine
CAS Number863202-33-9
PubChem CID53394567
IUPAC Name6-N-(2-bicyclo[2.2.1]heptanyl)-2-N-phenyl-7H-purine-2,6-diamine
Molecular FormulaC18H20N6
Molecular Weight320.4
XLogP4
Topological Polar Surface Area78.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity439
SMILES
C1CC2CC1CC2NC3=NC(=NC4=C3NC=N4)NC5=CC=CC=C5
InChI
InChI=1S/C18H20N6/c1-2-4-13(5-3-1)21-18-23-16-15(19-10-20-16)17(24-18)22-14-9-11-6-7-12(14)8-11/h1-5,10-12,14H,6-9H2,(H3,19,20,21,22,23,24)
InChIKey
SLLSODGWHDUMRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-phenyl-amino-N6-endo-norbornyladenine
CAS: 863202-33-9
CID: 53394567
Formula: C18H20N6
MW: 320.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.4
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass320.17494466
Monoisotopic Mass320.17494466
Topological Polar Surface Area78.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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