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82499-02-3 | 2-Chloro-6(methylamino)purine
CAS No: 82499-02-3 Catalog No: AG003GZX MDL No:
Product Description
Catalog Number:
AG003GZX
Chemical Name:
2-Chloro-6(methylamino)purine
CAS Number:
82499-02-3
IUPAC Name:
2-chloro-N-methyl-7H-purin-6-amine
InChI:
InChI=1S/C6H6ClN5/c1-8-4-3-5(10-2-9-3)12-6(7)11-4/h2H,1H3,(H2,8,9,10,11,12)
InChI Key:
RIAVUEFUPHOGJY-UHFFFAOYSA-N
NSC Number:
15416
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.599g/mol
Monoisotopic Mass:
183.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| The screening and characterization of 6-aminopurine-based xanthine oxidase inhibitors. | Bioorganic & medicinal chemistry 20070515 |
| Acyclic and cyclopropyl analogues of adenosine bisphosphate antagonists of the P2Y1 receptor: structure-activity relationships and receptor docking. | Journal of medicinal chemistry 20010913 |
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