chempirical

5-(Hydroxymethyl)uracil

C5H6N2O3CAS 4433-40-3142.11 g/mol

Open in Covalent MOL file
HONOHNHO
AlcoholPhenol

Properties

Molecular formula
C5H6N2O3
Molar mass
142.11 g/mol
Exact mass
142.0378 Da
Melting point
195–200 °C
logP
-0.62Crippen estimate
Polar surface area
86.5 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1

Identifiers

CAS number
4433-40-3
SMILES
OCc1cnc(O)nc1O
InChIKey
JDBGXEHEIRGOBU-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)

Weigh it out

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

Names and synonyms

7 names
  • 2,4(1H,3H)-Pyrimidinedione, 5-(hydroxymethyl)-
  • Uracil, 5-(hydroxymethyl)-
  • 5-(Hydroxymethyl)-2,4(1H,3H)-pyrimidinedione
  • α-Hydroxythymine
  • NSC 20901
  • 5-(Hydroxymethyl)-1,3-dihydropyrimidine-2,4-dione
  • 5-Hydroxymethyl-1H-pyrimidine-2,4-dione

Work with 5-(Hydroxymethyl)uracil

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-Ethyl-2,4(1H,3H)-pyrimidinedione4212-49-163 % similar 5-Hydroxy-2,4(1H,3H)-pyrimidinedione20636-41-352 % similar 5-Chlorouracil1820-81-148 % similar 5-Bromouracil51-20-748 % similar 5-Fluorouracil51-21-848 % similar Thymine65-71-448 % similar 5-Iodouracil696-07-148 % similar 5-Aminouracil932-52-548 % similar

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

Same formula

3,5-Dimethyl-4-nitroisoxazole1123-49-5 1-Methyl-2,4,6(1H,3H,5H)-pyrimidinetrione2565-47-1 Ethyl cyanohydroxyiminoacetate3849-21-6 5-Methoxyuracil6623-81-0

Elsewhere

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