chempirical

Glycoluril

C4H6N4O2CAS 496-46-8142.12 g/mol

Open in Covalent MOL file
OHNNHONHHN

Properties

Molecular formula
C4H6N4O2
Molar mass
142.12 g/mol
Exact mass
142.0491 Da
Melting point
300 °C (decomposes)
logP
-1.33Crippen estimate
Polar surface area
89.2 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
0

Identifiers

CAS number
496-46-8
SMILES
OC1=NC2N=C(O)NC2N1
InChIKey
VPVSTMAPERLKKM-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)

Weigh it out

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Names and synonyms

12 names
  • Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-
  • Tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
  • Acetylene carbamide
  • Acetyleneurea
  • Glyoxaldiureine
  • Acetylenediurea
  • Acetylenediureine
  • Diurea glyoxalate
  • Glyoxalbiuret
  • NSC 2765
  • Tetrahydroimidazo[4,5-d]imidazole-2,5-dione
  • 1,3,3a,4,6,6a-Hexahydroimidazo[4,5-d]imidazole-2,5-dione

Work with Glycoluril

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

Dicyclohexylurea2387-23-737 % similar

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

Same formula

5,6-Diaminouracil3240-72-0 Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate3641-14-3 2,5-Diamino-4,6-dihydroxypyrimidine40769-69-5

Elsewhere

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