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100605-51-4 | 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 6-methoxy-
CAS No: 100605-51-4 Catalog No: AG0002HG MDL No:MFCD11053511
Product Description
Catalog Number:
AG0002HG
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 6-methoxy-
CAS Number:
100605-51-4
Molecular Formula:
C6H7N5O
Molecular Weight:
165.1527
MDL Number:
MFCD11053511
IUPAC Name:
6-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine
InChI:
InChI=1S/C6H7N5O/c1-12-6-9-4(7)3-2-8-11-5(3)10-6/h2H,1H3,(H3,7,8,9,10,11)
InChI Key:
JLGWTOIIQUNTLX-UHFFFAOYSA-N
SMILES:
COc1nc(N)c2c(n1)[nH]nc2
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.156g/mol
Monoisotopic Mass:
165.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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