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Home > Nitro Compounds > 16632-21-6
16632-21-6 | 2,4(1H,3H)-Pyrimidinedione, 6-methyl-5-nitro-
CAS No: 16632-21-6 Catalog No: AG001WN7 MDL No:MFCD00047362
Product Description
Catalog Number:
AG001WN7
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-methyl-5-nitro-
CAS Number:
16632-21-6
Molecular Formula:
C5H5N3O4
Molecular Weight:
171.1109
MDL Number:
MFCD00047362
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 |
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