4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine

C7H10N2O4SCAS 113583-35-0218.23 g/mol

Open in Covalent MOL file
OONSOON
EtherSulfone

Properties

Molecular formula
C7H10N2O4S
Molar mass
218.23 g/mol
Exact mass
218.0361 Da
logP
-0.10Crippen estimate
Polar surface area
78.4 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
113583-35-0
SMILES
COc1cc(OC)nc(S(C)(=O)=O)n1
InChIKey
ITDVJJVNAASTRS-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O4S/c1-12-5-4-6(13-2)9-7(8-5)14(3,10)11/h4H,1-3H3

Weigh it out

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

Names and synonyms

3 names
  • Pyrimidine, 4,6-dimethoxy-2-(methylsulfonyl)-
  • 2-Methanesulfonyl-4,6-dimethoxypyrimidine
  • 2-(Methylsulfonyl)-4,6-dimethoxypyrimidine

Work with 4,6-Dimethoxy-2-(methylsulfonyl)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

4,6-Dimethyl-2-methylsulfonylpyrimidine35144-22-052 % similar 4,6-Dichloro-2-(methylsulfonyl)pyrimidine4489-34-350 % similar 2,4,6-Trimethoxypyrimidine13106-85-948 % similar 2-Chloro-4,6-dimethoxypyrimidine13223-25-147 % similar 4,6-Dimethoxy-2-methylpyrimidine13566-48-847 % similar 4,6-Dimethoxy-2-methylthiopyrimidine90905-46-742 % similar 2-(Chloromethyl)-4,6-dimethoxypyrimidine114108-86-041 % similar 4,6-Dimethoxypyrimidine5270-94-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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