chempirical

6-Methyl-5-nitro-2,4(1H,3H)-pyrimidinedione

C5H5N3O4CAS 16632-21-6171.11 g/mol

Open in Covalent MOL file
NOHNHON+OO−
NitroPhenol

Properties

Molecular formula
C5H5N3O4
Molar mass
171.11 g/mol
Exact mass
171.0280 Da
Melting point
290 °C (decomposes)
logP
0.10Crippen estimate
Polar surface area
109.4 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
1

Identifiers

CAS number
16632-21-6
SMILES
Cc1nc(O)nc(O)c1[N+](=O)[O-]
InChIKey
LIVYMRJSNFHYEN-UHFFFAOYSA-N
InChI
InChI=1S/C5H5N3O4/c1-2-3(8(11)12)4(9)7-5(10)6-2/h1H3,(H2,6,7,9,10)

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Names and synonyms

7 names
  • 2,4(1H,3H)-Pyrimidinedione, 6-methyl-5-nitro-
  • Uracil, 6-methyl-5-nitro-
  • 5-Nitro-6-methyluracil
  • 6-Methyl-5-nitrouracil
  • 2,4-Dihydroxy-6-methyl-5-nitropyrimidine
  • NSC 40201
  • 2,4-Dihydroxy-5-nitro-6-methylpyrimidine

Work with 6-Methyl-5-nitro-2,4(1H,3H)-pyrimidinedione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5,6-Dimethyluracil26305-13-547 % similar 5-Nitro-2,4(1H,3H)-pyrimidinedione611-08-546 % similar 2,4-Dichloro-6-methyl-5-nitropyrimidine13162-26-045 % similar 6-Hydroxy-5-nitro-4(3H)-pyrimidinone2164-83-244 % similar 3,5-Dimethyl-4-nitroisoxazole1123-49-541 % similar 3,5-Dimethyl-4-nitropyrazole14531-55-641 % similar 6-Azathymine932-53-640 % similar 1,2,4,5-Tetramethyl-3,6-dinitrobenzene5465-13-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 4-nitro-1H-pyrazole-5-carboxylate138786-86-4 5-Amino-1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid7164-43-4

Elsewhere

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