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133332-72-6 | 9H-Purine, 6-(2,5-dimethyl-1H-pyrrol-1-yl)-
CAS No: 133332-72-6 Catalog No: AG0014P5 MDL No:
Product Description
Catalog Number:
AG0014P5
Chemical Name:
9H-Purine, 6-(2,5-dimethyl-1H-pyrrol-1-yl)-
CAS Number:
133332-72-6
Molecular Formula:
C11H11N5
Molecular Weight:
213.2385
IUPAC Name:
6-(2,5-dimethylpyrrol-1-yl)-7H-purine
InChI:
InChI=1S/C11H11N5/c1-7-3-4-8(2)16(7)11-9-10(13-5-12-9)14-6-15-11/h3-6H,1-2H3,(H,12,13,14,15)
InChI Key:
ATMCTIUGUGAYTD-UHFFFAOYSA-N
SMILES:
Cc1ccc(n1c1ncnc2c1nc[nH]2)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.244g/mol
Monoisotopic Mass:
213.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Structure and synthesis of 6-(substituted-imidazol-1-yl)purines: versatile substrates for regiospecific alkylation and glycosylation at N9. | The Journal of organic chemistry 20060526 |
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