N-(5-Bromopyrimidin-2-yl)-N-(methoxymethyl)methanesulfonamide - ≥98% , CAS No.1311197-89-3

CAS: 1311197-89-3 Cat. No.: N181107 Molecular Weight: 296.1 PubChem CID: 54758849

GRADE & PURITY ≥98%

Synonyms

SB58194 | AKOS015892578 | BS-20483 | DTXSID00716573 | N-(5-Bromopyrimidin-2-yl)-N-(methoxymethyl)methanesulfonamide | N-(5-Bromopyrimidin-2-yl)-N-(methoxymethyl)-methanesulfonamide | 1311197-89-3 | Methanesulfonamide, N-(5-bromo-2-pyrimidinyl)-N-(methoxym

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SB58194 | AKOS015892578 | BS-20483 | DTXSID00716573 | N-(5-Bromopyrimidin-2-yl)-N-(methoxymethyl)methanesulfonamide | N-(5-Bromopyrimidin-2-yl)-N-(methoxymethyl)-methanesulfonamide | 1311197-89-3 | Methanesulfonamide, N-(5-bromo-2-pyrimidinyl)-N-(methoxym

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COCN(C1=NC=C(C=N1)Br)S(=O)(=O)C
• IUPAC Name: N-(5-bromopyrimidin-2-yl)-N-(methoxymethyl)methanesulfonamide
• InChIKey: MJPNUSBHYXBRPY-UHFFFAOYSA-N
• INCHI: 1S/C7H10BrN3O3S/c1-14-5-11(15(2,12)13)7-9-3-6(8)4-10-7/h3-4H,5H2,1-2H3
• Isomeric SMILES: COCN(C1=NC=C(C=N1)Br)S(=O)(=O)C
• PubChem CID: 54758849
• Molecular Weight: 296.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Organosulfonamides Organic sulfonamides Aryl bromides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halopyrimidine - Aryl bromide - Aryl halide - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Chemical and Physical Properties

• Molecular Weight: 296.140 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 294.963 Da
• Monoisotopic Mass: 294.963 Da
• Topological Polar Surface Area: 80.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 284.000
• 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