chempirical

5,6-Diaminouracil

C4H6N4O2CAS 3240-72-0142.12 g/mol

Open in Covalent MOL file
NH2NOHNHOH2N
PhenolPrimary amine

Properties

Molecular formula
C4H6N4O2
Molar mass
142.12 g/mol
Exact mass
142.0491 Da
Melting point
above 300 °C
logP
-0.95Crippen estimate
Polar surface area
118.3 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
0

Identifiers

CAS number
3240-72-0
SMILES
Nc1nc(O)nc(O)c1N
InChIKey
BBTNLADSUVOPPN-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)

Weigh it out

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

Names and synonyms

8 names
  • 2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-
  • Uracil, 5,6-diamino-
  • 5,6-Diamino-2,4(1H,3H)-pyrimidinedione
  • 5,6-Diamino-2,4-dihydroxypyrimidine
  • 4,5-Diamino-2,6-dihydroxypyrimidine
  • 4,5-Diaminouracil
  • 2,6-Dihydroxy-4,5-diaminopyrimidine
  • 2,4-Dihydroxy-5,6-diaminopyrimidine

Work with 5,6-Diaminouracil

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

2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-, sulfate (1:?)32014-70-372 % similar 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine1004-76-857 % similar 6-Amino-5-nitroso-2,4(1H,3H)-pyrimidinedione5442-24-052 % similar 5-Amino-1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid7164-43-448 % similar 5-Aminouracil932-52-539 % similar Cyanuric acid108-80-536 % similar 5,6-Dimethyluracil26305-13-535 % similar 4-Hydroxy-2,5,6-triaminopyrimidine1004-75-735 % similar

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

Same formula

Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate3641-14-3 2,5-Diamino-4,6-dihydroxypyrimidine40769-69-5 Glycoluril496-46-8

Elsewhere

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