chempirical

4,6-Dihydroxy-2-(methylthio)pyrimidine

C5H6N2O2SCAS 1979-98-2158.17 g/mol

Open in Covalent MOL file
SNOHOHN
PhenolSulfide

Properties

Molecular formula
C5H6N2O2S
Molar mass
158.17 g/mol
Exact mass
158.0150 Da
Melting point
below 300 °C
logP
0.61Crippen estimate
Polar surface area
66.2 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
1

Identifiers

CAS number
1979-98-2
SMILES
CSc1nc(O)cc(O)n1
InChIKey
AEXCUJUYEZIWJV-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O2S/c1-10-5-6-3(8)2-4(9)7-5/h2H,1H3,(H2,6,7,8,9)

Weigh it out

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

Names and synonyms

12 names
  • 4(3H)-Pyrimidinone, 6-hydroxy-2-(methylthio)-
  • 4(1H)-Pyrimidinone, 6-hydroxy-2-(methylthio)-
  • 4,6-Pyrimidinediol, 2-(methylthio)-
  • 6-Hydroxy-2-(methylthio)-4(3H)-pyrimidinone
  • 2-(Methylthio)-4,6-dihydroxypyrimidine
  • 4,6-Dihydroxy-2-(methylmercapto)pyrimidine
  • 2-Methylsulfanylpyrimidine-4,6-diol
  • NSC 44557
  • 6-Hydroxy-2-(methylthio)-4-pyrimidinone
  • 6-Hydroxy-2-(methylthio)-4(1H)-pyrimidinone
  • 2-Methylthiopyrimidine-4,6-diol
  • 2-Methylmercapto-4,6-dihydroxypyrimidine

Work with 4,6-Dihydroxy-2-(methylthio)pyrimidine

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-(Methylthio)-4(3H)-pyrimidinone5751-20-262 % similar 4,6-Dimethyl-2-(methylthio)pyrimidine14001-64-052 % similar 4,6-Dichloro-2-(methylthio)pyrimidine6299-25-850 % similar 6-Hydroxy-4-methyl-2-pyridone4664-16-844 % similar 4-Hydroxy-6-methyl-2(1H)-pyridinone3749-51-738 % similar 2,6-Dimethyl-4(3H)-pyrimidinone6622-92-038 % similar 4,6-Dihydroxypyrimidine1193-24-438 % similar 4-Methyl-2-(methylthio)pyrimidine14001-63-937 % similar

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

Same formula

Methyl 2-amino-1,3-thiazole-4-carboxylate118452-04-3 2-Amino-4-thiazoleacetic acid29676-71-9 Ethyl 1,2,3-thiadiazole-4-carboxylate3989-36-4

Elsewhere

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