chempirical

5-Cyanouracil

C5H3N3O2CAS 4425-56-3137.10 g/mol

Open in Covalent MOL file
NNHONHO
NitrilePhenol

Properties

Molecular formula
C5H3N3O2
Molar mass
137.10 g/mol
Exact mass
137.0225 Da
Melting point
295 °C (decomposes)
logP
-0.65Crippen estimate
Polar surface area
89.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
4425-56-3
SMILES
N#Cc1c[nH]c(=O)nc1O
InChIKey
HAUXRJCZDHHADG-UHFFFAOYSA-N
InChI
InChI=1S/C5H3N3O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,(H2,7,8,9,10)

Weigh it out

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

Names and synonyms

11 names
  • NSC 44192
  • NSC 667760
  • Uracil-5-carbonitrile
  • 2,4-Dioxo-1H-pyrimidine-5-carbonitrile
  • 2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
  • 2,4-Dihydroxypyrimidine-5-carbonitrile
  • 2-Hydroxy-4-oxo-1,4-dihydropyrimidine-5-carbonitrile
  • 5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-2,4-dioxo-
  • 1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarbonitrile
  • 2,4(1H,3H)-Pyrimidinedione, 5-cyano-
  • NSC 12931

Work with 5-Cyanouracil

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

1,2-Dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile4241-27-442 % similar 4-Amino-2-bromo-5-pyrimidinecarbonitrile94741-70-540 % similar Cnqx115066-14-338 % similar 4-Amino-2-methyl-5-pyrimidinecarbonitrile698-29-338 % similar 3-Cyano-2-pyridone20577-27-937 % similar Milrinone78415-72-234 % similar 1H-Pyrrolo[2,3-B]pyridine-3-carbonitrile4414-89-533 % similar 2,6-Dihydroxy-5-fluoro-3-cyanopyridine113237-18-632 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook