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Home Other Building Blocks 4,6-Dihydroxy-2-methylpyrimidine

4,6-Dihydroxy-2-methylpyrimidine

CAS No.:
1194-22-5
Catalog Number:
AG000IOT
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
96%
In Stock USA
United States
$13
- +
25g
96%
In Stock USA
United States
$19
- +
100g
96%
In Stock USA
United States
$57
- +
500g
96%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG000IOT
Chemical Name:
4,6-Dihydroxy-2-methylpyrimidine
CAS Number:
1194-22-5
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
MDL Number:
MFCD00006104
IUPAC Name:
4-hydroxy-2-methyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C5H6N2O2/c1-3-6-4(8)2-5(9)7-3/h2H,1H3,(H2,6,7,8,9)
InChI Key:
BPSGVKFIQZZFNH-UHFFFAOYSA-N
SMILES:
O=c1cc(O)[nH]c(n1)C
NSC Number:
9317
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.043g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Literature
Title Journal
Identifying chelators for metalloprotein inhibitors using a fragment-based approach. Journal of medicinal chemistry 20110127
Synthesis and properties of acetamidinium salts. Chemistry Central journal 20110101
Synthesis, characterization and thermolysis of 1,1-diamino-2,2-dinitroethylene (FOX-7) and its salts. Journal of hazardous materials 20060921
Properties