4-Methyl-5-hydroxymethyluracil - ≥97% , CAS No.147-61-5

CAS: 147-61-5 Cat. No.: H167382 Summenformel: C₆H₈N₂O₃ Molekulargewicht: 156.142 EG-Nummer: 205-694-0

GRADE & PURITY ≥97%

Synonyms

STL517212 | STK500531 | BB 0237717 | Q27268517 | XBAVGYMDOXCWQU-UHFFFAOYSA-N | 4-Methyl-5-hydroxymethyluracil | EN300-125289 | 5-(hydroxymethyl)-6-methyl-pyrimidine-2,4-diol | 5-(hydroxymethyl)-6-methylpyrimidine-2,4-diol | 5-Hydroxymethyl-6-methyl-1H-pyr

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

STL517212 | STK500531 | BB 0237717 | Q27268517 | XBAVGYMDOXCWQU-UHFFFAOYSA-N | 4-Methyl-5-hydroxymethyluracil | EN300-125289 | 5-(hydroxymethyl)-6-methyl-pyrimidine-2,4-diol | 5-(hydroxymethyl)-6-methylpyrimidine-2,4-diol | 5-Hydroxymethyl-6-methyl-1H-pyr

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504751774

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751774

Kanonisches Lächeln

CC1=C(C(=O)NC(=O)N1)CO

IUPAC Name

5-(hydroxymethyl)-6-methyl-1H-pyrimidine-2,4-dione

InChIKey

XBAVGYMDOXCWQU-UHFFFAOYSA-N

INCHI

1S/C6H8N2O3/c1-3-4(2-9)5(10)8-6(11)7-3/h9H,2H2,1H3,(H2,7,8,10,11)

Isomere SMILES

CC1=C(C(=O)NC(=O)N1)CO

Molekulargewicht

156.142

Reaxy-Rn

132897

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=132897&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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 Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidone - Hydropyrimidine - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Azacycle - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Organic oxide - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 156.140 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.053 Da
• Monoisotopic Mass: 156.053 Da
• Topological Polar Surface Area: 78.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 244.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 147-61-5, the molecular formula is C6H8N2O3, and the molecular weight is 156.142 g/mol. InChIKey XBAVGYMDOXCWQU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.