4,6-Dimethyl-2-methylsulfonylpyrimidine

C₇H₁₀N₂O₂SCAS 35144-22-0186.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₀N₂O₂S
Molar mass: 186.23 g/mol
Exact mass: 186.0463 Da
Melting point: 84–86 °C
logP: 0.50Crippen estimate
Polar surface area: 59.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction25% of notifiers
H319 Causes serious eye irritation100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled25% of notifiers
H335 May cause respiratory irritation75% of notifiers
H361 Suspected of damaging fertility or the unborn child25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

35144-22-0

SMILES

Cc1cc(C)nc(S(C)(=O)=O)n1

InChIKey

ZHPSNGCLCHWTRG-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2O2S/c1-5-4-6(2)9-7(8-5)12(3,10)11/h4H,1-3H3

Weigh it out

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

Names and synonyms

4 names

4,6-Dimethyl-2-(methylsulfonyl)pyrimidine
Pyrimidine, 4,6-dimethyl-2-(methylsulfonyl)-
2-(Methylsulfonyl)-4,6-dimethylpyrimidine
2-Methanesulfonyl-4,6-dimethylpyrimidine

Work with 4,6-Dimethyl-2-methylsulfonylpyrimidine

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

4,6-Dichloro-2-(methylsulfonyl)pyrimidine4489-34-355 % similar 4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine113583-35-052 % similar 2-Chloro-4,6-dimethylpyrimidine4472-44-041 % similar 5-Bromo-2-(methylsulphonyl)pyrimidine38275-48-841 % similar 4-Chloro-2-(methylsulfonyl)pyrimidine97229-11-340 % similar 2-Hydroxy-4,6-dimethylpyrimidine108-79-239 % similar 4,6-Dimethyl-2-mercaptopyrimidine22325-27-539 % similar 2,4,6-Trimethylpyridine108-75-837 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(1-(Ethylsulfonyl)azetidin-3-ylidene)acetonitrile1187595-85-2 P-Toluenesulfonylhydrazide1576-35-8 Carbimazole22232-54-8 Ethyl 2-amino-4-thiazoleacetate53266-94-7 4-Amino-3-methylbenzene-1-sulfonamide53297-70-4 3-Amino-4-methylbenzenesulfonamide6274-28-8 5-Amino-2-methylbenzenesulfonamide6973-09-7 Ethyl 2-amino-4-methylthiazole-5-carboxylate7210-76-6

Elsewhere

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