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Home Nitros 6-Methyl-5-nitropyrimidine-2,4(1h,3h)-dione

6-Methyl-5-nitropyrimidine-2,4(1h,3h)-dione

CAS No.:
16632-21-6
Catalog Number:
AG001WN7
Molecular Formula:
C5H5N3O4
Molecular Weight:
171.1109
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$63
- +
100g
98%
In Stock USA
United States
$163
- +
Product Description
Catalog Number:
AG001WN7
Chemical Name:
6-Methyl-5-nitropyrimidine-2,4(1h,3h)-dione
CAS Number:
16632-21-6
Molecular Formula:
C5H5N3O4
Molecular Weight:
171.1109
MDL Number:
MFCD00051201
IUPAC Name:
6-methyl-5-nitro-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C5H5N3O4/c1-2-3(8(11)12)4(9)7-5(10)6-2/h1H3,(H2,6,7,9,10)
InChI Key:
LIVYMRJSNFHYEN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)[nH]c(=O)[nH]c1=O
EC Number:
240-688-1
NSC Number:
40201
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.028g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
171.112g/mol
Monoisotopic Mass:
171.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Literature
Title Journal
Structure-activity relationship of ligands of uracil phosphoribosyltransferase from Toxoplasma gondii. Biochemical pharmacology 19940817
Properties