1,3-Dimethyluracil - ≥99% , CAS No.874-14-6

CAS: 874-14-6 Cat. No.: D124271 Formule: C₆H₈N₂O₂ Poids moléculaire: 140.14 Beilstein Registry Number: 124074 Numéro CE: 212-856-4

QUALITÉ & PURETÉ ≥99%

Synonyms

1,3-dimethyl-2,4-pyrimidinedione | EN300-26213 | 1,3-Dimethyluracil | BN3V9WZ8FN | NSC 401858 | 1, 3-dimethyl-2,4(1H,3H)-Pyrimidinedione | AB-323/25048172 | DTXSID0061244 | AMY4131 | 2,3H)-Pyrimidinedione, 1,3-dimethyl- | 1,3-Dimethyl-1H-pyrimidine-2,4-di

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

1,3-Dimethyluracil is a pyrimidine derivative. Stability of the C6-centered carbanions derived from 1,3-dimethyluracil has been investigated in the gas phase and in DMSO and water solutions. The excited state structural dynamics of 1,3-dimethyluracil (DMU) in water and acetonitrile has been studied by resonance Raman spectroscopy. Crystal structure of 1,3-dimethyluracil has been reported. Ultraviolet irradiation of aqueous 1,3-dimethyluracil results in hydration of the 5:6 double bond of the uracil ring to form 1,3-dimethyl-6-oxy-hydrouracil.
1,3-Dimethyluracil is suitable reagent used to investigate the steady-state absorption and fluorescence spectra of uracil derivatives.It may be used in the preparation of 2,6-dihydroxynicotinamide.

Spécifications

Synonymes

1,3-dimethyl-2,4-pyrimidinedione | EN300-26213 | 1,3-Dimethyluracil | BN3V9WZ8FN | NSC 401858 | 1, 3-dimethyl-2,4(1H,3H)-Pyrimidinedione | AB-323/25048172 | DTXSID0061244 | AMY4131 | 2,3H)-Pyrimidinedione, 1,3-dimethyl- | 1,3-Dimethyl-1H-pyrimidine-2,4-di

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

Pubchem Sid

488184480

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184480

Sourires canoniques

CN1C=CC(=O)N(C1=O)C

IUPAC Name

1,3-dimethylpyrimidine-2,4-dione

InChIKey

JSDBKAHWADVXFU-UHFFFAOYSA-N

INCHI

1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3

Isomères SMILES

CN1C=CC(=O)N(C1=O)C

WGK Allemagne

3

Poids moléculaire

140.14

Beilstein

124074

Reaxy-Rn

124074

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124074&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

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

Cibles associées (humaines)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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

Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 119-122°C
• Poids moléculaire: 140.140 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 140.059 Da
• Monoisotopic Mass: 140.059 Da
• Topological Polar Surface Area: 40.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 210.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% 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 874-14-6, the molecular formula is C6H8N2O2, and the molecular weight is 140.14 g/mol. InChIKey JSDBKAHWADVXFU-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.