chempirical

6-Aminouracil

C4H5N3O2CAS 873-83-6127.10 g/mol

Open in Covalent MOL file
NH2OHNHON
PhenolPrimary amine

Properties

Molecular formula
C4H5N3O2
Molar mass
127.10 g/mol
Exact mass
127.0382 Da
Melting point
310–312 °C
logP
-0.53Crippen estimate
Polar surface area
92.3 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
0

Identifiers

CAS number
873-83-6
SMILES
Nc1cc(O)nc(O)n1
InChIKey
LNDZXOWGUAIUBG-UHFFFAOYSA-N
InChI
InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)

Weigh it out

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

Names and synonyms

12 names
  • 2,4(1H,3H)-Pyrimidinedione, 6-amino-
  • Uracil, 6-amino-
  • 6-Amino-2,4(1H,3H)-pyrimidinedione
  • 6-Amino-2,4-dihydroxypyrimidine
  • 4-Aminouracil
  • 2,4-Dihydroxy-6-aminopyrimidine
  • 4-Amino-2,6-dihydroxypyrimidine
  • 6-Amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidine
  • NSC 15919
  • NSC 7367
  • 6-Aminopyrimidine-2,4(1H,3H)-dione
  • 6-Aminopyrimidine-2,4-diol

Work with 6-Aminouracil

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

6-Amino-2-thiouracil1004-40-657 % similar 6-Amino-2-methyl-4(3H)-pyrimidinone767-16-857 % similar 6-Chlorouracil4270-27-350 % similar 6-Amino-4(3H)-pyrimidinone1193-22-246 % similar 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione18592-13-745 % similar Orotic acid65-86-142 % similar Orotic acid monohydrate50887-69-939 % similar 1,2,4-Triazine-3,5(2H,4H)-dione461-89-238 % similar

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

Same formula

5-Methyl-4-nitroimidazole14003-66-8 N-(Aminocarbonyl)-2-cyanoacetamide1448-98-2 1-Methyl-4-nitroimidazole3034-41-1 1-Methyl-4-nitro-1H-pyrazole3994-50-1 3-Amino-1H-pyrazole-4-carboxylic acid41680-34-6 Methyl 1H-1,2,4-triazole-5-carboxylate4928-88-5 3-Methyl-4-nitro-1H-pyrazole5334-39-4 2-Amino-6-hydroxy-4(3H)-pyrimidinone56-09-7

Elsewhere

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