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

C₅H₆N₂O₂SCAS 1979-98-2158.17 g/mol

Open in Covalent MOL file

Phenol Sulfide

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 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 4,6-Dimethoxy-2-methylthiopyrimidine90905-46-746 % similar 6-Hydroxy-4-methyl-2-pyridone4664-16-844 % similar 4-Chloro-6-methyl-2-(methylthio)pyrimidine17119-73-242 % similar 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine16097-63-538 % similar 4-Hydroxy-6-methyl-2(1H)-pyridinone3749-51-738 % 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 Methyl 4-amino-1,3-thiazole-5-carboxylate278183-10-1 2-Amino-4-thiazoleacetic acid29676-71-9 Ethyl 1,2,3-thiadiazole-4-carboxylate3989-36-4 Methyl 2-aminothiazole-5-carboxylate6633-61-0 2-(4-Hydroxy-thiazol-2-yl)acetamide87947-94-2

Elsewhere

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