3-Methyluracil - ≥98% , CAS No.608-34-4

CAS: 608-34-4 Cat. No.: M171155 Formula: C₅H₆N₂O₂ Molecular Weight: 126.11 EC Number: 622-685-0

GRADE & PURITY ≥98%

Synonyms

EN300-297986 | 3-Methyluracil | AS-47233 | 1H-Indole-3-carboxaldehyde, 5-methoxy- | VPLZGVOSFFCKFC-UHFFFAOYSA-N | 2-hydroxy-3-methylpyrimidin-4(3H)-one | 3-methyl-1H-pyrimidine-2,4-dione | SCHEMBL13242249 | DTXSID30878779 | AKOS003348643 | F12763 | FT-069

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

EN300-297986 | 3-Methyluracil | AS-47233 | 1H-Indole-3-carboxaldehyde, 5-methoxy- | VPLZGVOSFFCKFC-UHFFFAOYSA-N | 2-hydroxy-3-methylpyrimidin-4(3H)-one | 3-methyl-1H-pyrimidine-2,4-dione | SCHEMBL13242249 | DTXSID30878779 | AKOS003348643 | F12763 | FT-069

Specifications & Purity

≥98%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Pubchem Sid

528759043

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528759043

Canonical Smiles

CN1C(=O)C=CNC1=O

IUPAC Name

3-methyl-1H-pyrimidine-2,4-dione

InChIKey

VPLZGVOSFFCKFC-UHFFFAOYSA-N

INCHI

1S/C5H6N2O2/c1-7-4(8)2-3-6-5(7)9/h2-3H,1H3,(H,6,9)

Isomeric SMILES

CN1C(=O)C=CNC1=O

Molecular Weight

126.11

Reaxy-Rn

117810

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=117810&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 Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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: pyrimidone - nucleobase analogue

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: Air & Heat Sensitive
• Molecular Weight: 126.110 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.043 Da
• Monoisotopic Mass: 126.043 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 185.000
• 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