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

CAS: 874-14-6 Cat. No.: D124271 Peso molecular: 140.14 Beilstein Registry Number: 124074 Número EC: 212-856-4

GRADE & PURITY ≥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

Descripción general

el 1,3-dimetiluracilo es un derivado de la pirimidina. Se ha investigado la estabilidad de los carbaniones centrados en C6 derivados del 1,3-dimetiluracilo en fase gaseosa y en soluciones de DMSO y agua. Se ha estudiado la dinámica estructural en estado excitado del 1,3-dimetiluracilo (DMU) en agua y acetonitrilo mediante espectroscopia Raman de resonancia. Se ha descrito la estructura cristalina del 1,3-dimetiluracilo. La irradiación ultravioleta de 1,3-dimetiluracilo acuoso produce la hidratación del doble enlace 5:6 del anillo de uracilo para formar 1,3-dimetil-6-oxihidrouracilo.
el 1,3-dimetiluracilo es un reactivo adecuado para investigar la absorción en estado estacionario y los espectros de fluorescencia de los derivados del uracilo, y puede utilizarse en la preparación de la 2,6-dihidroxinicotinamida.

Specifications

Sinónimos

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

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488184480
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184480
• Sonrisas canónicas: 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
• Isómeros SMILES: CN1C=CC(=O)N(C1=O)C
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 119-122°C
• Peso molecular: 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