Home Aminos 1,6-Diamino-4-methyl-1H-pyridin-2-one

1,6-Diamino-4-methyl-1H-pyridin-2-one

CAS No.:
848658-71-9
Catalog Number:
AG00G86G
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
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Product Description
Catalog Number:
AG00G86G
Chemical Name:
1,6-Diamino-4-methyl-1H-pyridin-2-one
CAS Number:
848658-71-9
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
MDL Number:
MFCD07330483
IUPAC Name:
1,6-diamino-4-methylpyridin-2-one
InChI:
InChI=1S/C6H9N3O/c1-4-2-5(7)9(8)6(10)3-4/h2-3H,7-8H2,1H3
InChI Key:
WLBJSXRTEVTGGG-UHFFFAOYSA-N
SMILES:
Cc1cc(N)n(c(=O)c1)N
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.075g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
139.158g/mol
Monoisotopic Mass:
139.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties