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115204-50-7 | 9H-Purin-6-amine, 9-[(3-aminophenyl)methyl]-N,N-dimethyl-
CAS No: 115204-50-7 Catalog No: AG000GFS MDL No:
Product Description
Catalog Number:
AG000GFS
Chemical Name:
9H-Purin-6-amine, 9-[(3-aminophenyl)methyl]-N,N-dimethyl-
CAS Number:
115204-50-7
Molecular Formula:
C14H16N6
Molecular Weight:
268.3170
IUPAC Name:
9-[(3-aminophenyl)methyl]-N,N-dimethylpurin-6-amine
InChI:
InChI=1S/C14H16N6/c1-19(2)13-12-14(17-8-16-13)20(9-18-12)7-10-4-3-5-11(15)6-10/h3-6,8-9H,7,15H2,1-2H3
InChI Key:
KILDTODMWLBVMP-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Cn1cnc2c1ncnc2N(C)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.144g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.324g/mol
Monoisotopic Mass:
268.144g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| 3D and quantum QSAR of non-benzodiazepine compounds. | European journal of medicinal chemistry 20081101 |
| 9-Benzyl-6-(dimethylamino)-9H-purines with antirhinovirus activity. | Journal of medicinal chemistry 19881001 |
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