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113583-35-0 | Pyrimidine, 4,6-dimethoxy-2-(methylsulfonyl)-
CAS No: 113583-35-0 Catalog No: AG00091U MDL No:MFCD00672151
Product Description
Catalog Number:
AG00091U
Chemical Name:
Pyrimidine, 4,6-dimethoxy-2-(methylsulfonyl)-
CAS Number:
113583-35-0
Molecular Formula:
C7H10N2O4S
Molecular Weight:
218.2303
MDL Number:
MFCD00672151
IUPAC Name:
4,6-dimethoxy-2-methylsulfonylpyrimidine
InChI:
InChI=1S/C7H10N2O4S/c1-12-5-4-6(13-2)9-7(8-5)14(3,10)11/h4H,1-3H3
InChI Key:
ITDVJJVNAASTRS-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)S(=O)(=O)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.227g/mol
Monoisotopic Mass:
218.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| 4,6-Dimeth-oxy-2-(methyl-sulfon-yl)pyrimidine. | Acta crystallographica. Section E, Structure reports online 20100801 |
| Synthesis and anti-inflammatory activity of 2-(2-aroylaroxy)-4,6-dimethoxy pyrimidines. | Bioorganic & medicinal chemistry letters 20080801 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Gas-phase sulfonyl-sulfinate rearrangement of protonated 4,6-dimethoxy-2-(methylsulfonyl)pyrimidine. | Rapid communications in mass spectrometry : RCM 20060101 |
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