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116137-82-7 | 7H-Purin-2-amine, 6-methoxy-7-methyl-
CAS No: 116137-82-7 Catalog No: AG000BPC MDL No:
Product Description
Catalog Number:
AG000BPC
Chemical Name:
7H-Purin-2-amine, 6-methoxy-7-methyl-
CAS Number:
116137-82-7
Molecular Formula:
C7H9N5O
Molecular Weight:
179.1793
IUPAC Name:
6-methoxy-7-methylpurin-2-amine
InChI:
InChI=1S/C7H9N5O/c1-12-3-9-5-4(12)6(13-2)11-7(8)10-5/h3H,1-2H3,(H2,8,10,11)
InChI Key:
HJRGONPOSDLYMO-UHFFFAOYSA-N
SMILES:
COc1nc(N)nc2c1n(C)cn2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.081g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.183g/mol
Monoisotopic Mass:
179.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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