chempirical

6-Amino-5-nitroso-2,4(1H,3H)-pyrimidinedione

C4H4N4O3CAS 5442-24-0156.10 g/mol

Open in Covalent MOL file
NH2NOHNHONO
PhenolPrimary amine

Properties

Molecular formula
C4H4N4O3
Molar mass
156.10 g/mol
Exact mass
156.0283 Da
Melting point
above 300 °C
logP
-0.13Crippen estimate
Polar surface area
121.7 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
1

Identifiers

CAS number
5442-24-0
SMILES
Nc1nc(O)nc(O)c1N=O
InChIKey
DKPCSXFEWFSECE-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N4O3/c5-2-1(8-11)3(9)7-4(10)6-2/h(H4,5,6,7,9,10)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 2,4(1H,3H)-Pyrimidinedione, 6-amino-5-nitroso-
  • Uracil, 6-amino-5-nitroso-
  • 6-Amino-5-nitrosouracil
  • 4-Amino-5-nitroso-2,6-pyrimidinediol
  • 5-Nitroso-6-aminouracil
  • 6-Amino-5-nitroso-2,4-pyrimidinediol
  • NSC 11446
  • NSC 14287
  • NSC 3101
  • NSC 677501
  • NSC 94946
  • 6-Amino-5-nitroso-22,4(1H,3H)-pyrimidinedione

Work with 6-Amino-5-nitroso-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-Diaminouracil3240-72-052 % similar 2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-, sulfate (1:?)32014-70-345 % similar 2,6-Diamino-5-nitroso-4(3H)-pyrimidinone2387-48-644 % similar 6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione6972-78-741 % similar 5-Amino-1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid7164-43-438 % similar 5-Aminouracil932-52-533 % similar 5-Fluoroorotic acid703-95-732 % similar 5,6-Dimethyluracil26305-13-531 % similar

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

Elsewhere

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