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83650-48-0 | 4(6H)-Pteridinone,2-amino-7,8-dihydro-6-methyl-
CAS No: 83650-48-0 Catalog No: AG0056VF MDL No:
Product Description
Catalog Number:
AG0056VF
Chemical Name:
4(6H)-Pteridinone,2-amino-7,8-dihydro-6-methyl-
CAS Number:
83650-48-0
Molecular Formula:
C7H9N5O
Molecular Weight:
179.1793
IUPAC Name:
2-amino-6-methyl-6,7-dihydro-3H-pteridin-4-one
InChI:
InChI=1S/C7H9N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h3H,2H2,1H3,(H3,8,9,11,12,13)
InChI Key:
QARNTSWBYSPKTL-UHFFFAOYSA-N
SMILES:
CC1CNC2=NC(=NC(=O)C2=N1)N
Properties
Complexity:
354
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:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.183g/mol
Monoisotopic Mass:
179.081g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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