200,000+ products from a single source!
sales@angenechem.com
26216-55-7 | 9H-Purine-2,6-diamine, 8-phenyl-
CAS No: 26216-55-7 Catalog No: AG002SAD MDL No:
Product Description
Catalog Number:
AG002SAD
Chemical Name:
9H-Purine-2,6-diamine, 8-phenyl-
CAS Number:
26216-55-7
Molecular Formula:
C11H10N6
Molecular Weight:
226.2373
IUPAC Name:
8-phenyl-7H-purine-2,6-diamine
InChI:
InChI=1S/C11H10N6/c12-8-7-10(17-11(13)15-8)16-9(14-7)6-4-2-1-3-5-6/h1-5H,(H5,12,13,14,15,16,17)
InChI Key:
WGJICLLGFIVHNE-UHFFFAOYSA-N
SMILES:
Nc1nc(N)c2c(n1)[nH]c(n2)c1ccccc1
UNII:
VD1P0VG5Q4
NSC Number:
240525
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.097g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
226.243g/mol
Monoisotopic Mass:
226.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| CoMFA analysis of tgDHFR and rlDHFR based on antifolates with 6-5 fused ring system using the all-orientation search (AOS) routine and a modified cross-validated r(2)-guided region selection (q(2)-GRS) routine and its initial application. | Bioorganic & medicinal chemistry 20100215 |
| Conformationally restricted analogues of trimethoprim: 2,6-diamino-8-substituted purines as potential dihydrofolate reductase inhibitors from Pneumocystis carinii and Toxoplasma gondii. | Journal of medicinal chemistry 19970912 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.