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116616-64-9 | 2-Pteridinamine, 7-methoxy-6-methyl-
CAS No: 116616-64-9 Catalog No: AG000CVA MDL No:
Product Description
Catalog Number:
AG000CVA
Chemical Name:
2-Pteridinamine, 7-methoxy-6-methyl-
CAS Number:
116616-64-9
Molecular Formula:
C8H9N5O
Molecular Weight:
191.1900
IUPAC Name:
7-methoxy-6-methylpteridin-2-amine
InChI:
InChI=1S/C8H9N5O/c1-4-7(14-2)12-6-5(11-4)3-10-8(9)13-6/h3H,1-2H3,(H2,9,10,12,13)
InChI Key:
HWDJRMYHQUEFHR-UHFFFAOYSA-N
SMILES:
COc1nc2nc(N)ncc2nc1C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.081g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.194g/mol
Monoisotopic Mass:
191.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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