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129409-65-0 | 9H-Purin-2-amine, 6-[(4-methylphenyl)methoxy]-
CAS No: 129409-65-0 Catalog No: AG000Z48 MDL No:
Product Description
Catalog Number:
AG000Z48
Chemical Name:
9H-Purin-2-amine, 6-[(4-methylphenyl)methoxy]-
CAS Number:
129409-65-0
Molecular Formula:
C13H13N5O
Molecular Weight:
255.2752
IUPAC Name:
6-[(4-methylphenyl)methoxy]-7H-purin-2-amine
InChI:
InChI=1S/C13H13N5O/c1-8-2-4-9(5-3-8)6-19-12-10-11(16-7-15-10)17-13(14)18-12/h2-5,7H,6H2,1H3,(H3,14,15,16,17,18)
InChI Key:
LTICVMSDFXJSRL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)COc1nc(N)nc2c1nc[nH]2
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.112g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.281g/mol
Monoisotopic Mass:
255.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Substitution of aminomethyl at the meta-position enhances the inactivation of O6-alkylguanine-DNA alkyltransferase by O6-benzylguanine. | Journal of medicinal chemistry 20081127 |
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