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Basic Description
| Synonyms | 1671-09-6 | 5-Methoxy-2-(methylsulfonyl)pyrimidine | 2-methanesulfonyl-5-methoxypyrimidine | 5-methoxy-2-methylsulfonylpyrimidine | 2-METHANESULFONYL-5-METHOXY-PYRIMIDINE | PYRIMIDINE, 5-METHOXY-2-(METHYLSULFONYL)- | SCHEMBL4059831 | DTXSID40400080 | VZZFSIFKVARSJZ-UHFFF |
|---|---|
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
- Subclass Ethers
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Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkyl aryl ethers |
| Alternative Parents | Pyrimidines and pyrimidine derivatives Sulfones Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl aryl ether - Pyrimidine - Heteroaromatic compound - Sulfonyl - Sulfone - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group. |
| External Descriptors | Not available |
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Names and Identifiers
| IUPAC Name | 5-methoxy-2-methylsulfonylpyrimidine |
|---|---|
| INCHI | InChI=1S/C6H8N2O3S/c1-11-5-3-7-6(8-4-5)12(2,9)10/h3-4H,1-2H3 |
| InChIKey | VZZFSIFKVARSJZ-UHFFFAOYSA-N |
| Smiles | COC1=CN=C(N=C1)S(=O)(=O)C |
| Isomeric SMILES | COC1=CN=C(N=C1)S(=O)(=O)C |
| Molecular Weight | 188.206 |
| Reaxy-Rn | 880576 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=880576&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 188.210 g/mol |
|---|---|
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 188.026 Da |
| Monoisotopic Mass | 188.026 Da |
| Topological Polar Surface Area | 77.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 226.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
Reviews
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