4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine - ≥98% , CAS No.113583-35-0

CAS: 113583-35-0 Cat. No.: D107761 Molecular Weight: 218.23 EC Number: 601-266-6

GRADE & PURITY ≥98%

Synonyms

4,6-dimethoxyl-2-methylsulfonylpyrimidine | CCG-52064 | 2-methylsulphonyl-4,6-dimethoxy-pyrimidine | AC-5459 | SR-01000641319-1 | 4,6-dimethoxy-2-(methylsulfonyl) pyrimidine | 4,6-dimethoxypyrimidine-2-yl methyl sulfone | 2-methylsulfonyl-4,6-dimethoxypyr

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4, 6-dimethoxyl-2-methylsulfonylpyrimidine | CCG-52064 | 2-methylsulphonyl-4, 6-dimethoxy-pyrimidine | AC-5459 | SR-01000641319-1 | 4, 6-dimethoxy-2-(methylsulfonyl) pyrimidine | 4, 6-dimethoxypyrimidine-2-yl methyl sulfone | 2-methylsulfonyl-4, 6-dimethoxypyr

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488191597
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191597
• Canonical Smiles: COC1=CC(=NC(=N1)S(=O)(=O)C)OC
• IUPAC Name: 4,6-dimethoxy-2-methylsulfonylpyrimidine
• InChIKey: ITDVJJVNAASTRS-UHFFFAOYSA-N
• INCHI: 1S/C7H10N2O4S/c1-12-5-4-6(13-2)9-7(8-5)14(3,10)11/h4H,1-3H3
• Isomeric SMILES: COC1=CC(=NC(=N1)S(=O)(=O)C)OC
• WGK Germany: 3
• Molecular Weight: 218.23
• Reaxy-Rn: 5336366
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5336366&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• 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 Organopnictogen 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 - Organopnictogen 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 130°C
• Molecular Weight: 218.230 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 218.036 Da
• Monoisotopic Mass: 218.036 Da
• Topological Polar Surface Area: 86.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 262.000
• 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

References

1. Songbo Cheng, Hang Hu, Defeng Xu.  (2025)  A facile and green synthetic process of pyriminobac-methyl.  JOURNAL OF THE CHINESE INSTITUTE OF ENGINEERS,      [PMID:] [10.1080/02533839.2025.2464570]