2-Hydroxy-4-methylpyrimidine hydrochloride - ≥98% , CAS No.5348-51-6

CAS: 5348-51-6 Cat. No.: H138956 Formula: C₅H₆N₂O · HCl Molecular Weight: 146.57 Beilstein Registry Number: 24(3/4)191 EC Number: 226-306-6

GRADE & PURITY ≥98%

Synonyms

6-methyl-1,2-dihydropyrimidin-2-one hydrochloride | PS-8936 | NSC1588 | NSC-1588 | ZB1364 | 4-METHYLPYRIMIDIN-2(1H)-ONE HCL | AKOS022183079 | MFCD00151347 | W-105732 | EN300-254472 | 2-Hydroxy-4-methylpyrimidine hydrochloride | 4-Methylpyrimidin-2-ol hydr

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

6-methyl-1,2-dihydropyrimidin-2-one hydrochloride | PS-8936 | NSC1588 | NSC-1588 | ZB1364 | 4-METHYLPYRIMIDIN-2(1H)-ONE HCL | AKOS022183079 | MFCD00151347 | W-105732 | EN300-254472 | 2-Hydroxy-4-methylpyrimidine hydrochloride | 4-Methylpyrimidin-2-ol hydr

Specifications & Purity

≥98%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192169
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192169
• Canonical Smiles: CC1=CC=NC(=O)N1.Cl
• IUPAC Name: 6-methyl-1H-pyrimidin-2-one;hydrochloride
• InChIKey: FDRYQDWXFZBBAD-UHFFFAOYSA-N
• INCHI: 1S/C5H6N2O.ClH/c1-4-2-3-6-5(8)7-4;/h2-3H,1H3,(H,6,7,8);1H
• Isomeric SMILES: CC1=CC=NC(=O)N1.Cl
• WGK Germany: 3
• Alternate CAS: 15231-48-8
• Molecular Weight: 146.57
• Beilstein: 24(3/4)191
• Reaxy-Rn: 5601428
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5601428&ln=

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: Pyrimidones
• Alternative Parents: Hydropyrimidines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. 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

• Sensitivity: Moisture sensitive
• Melt Point(°C): 243 °C
• Molecular Weight: 146.570 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 146.025 Da
• Monoisotopic Mass: 146.025 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 169.000
• 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: 2

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