Pyrimidine - ≥99% , CAS No.289-95-2

CAS: 289-95-2 Cat. No.: P107070 Formule: C₄H₄N₂ Poids moléculaire: 80.09 Beilstein Registry Number: 103894 Numéro CE: 206-026-0

QUALITÉ & PURETÉ ≥99%

Synonyms

m-Diazine|1,3-Diazine|Metadiazine

Storage

Argon charged,Room temperature

Shipped In

Normal

Vue d’ensemble

La pyrimidine a été utilisée pour évaluer quantitativement l'étendue de l'asymétrie pyrimidine/purine. Elle a également été utilisée pour étudier la chimie ionique photoinduite des pyrimidines halogénées, une classe de prototypes de molécules radiosensibilisantes.

Spécifications

Synonymes

m-Diazine | 1,3-Diazine | Metadiazine

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

Pubchem Sid

504751809

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751809

Sourires canoniques

C1=CN=CN=C1

IUPAC Name

pyrimidine

InChIKey

CZPWVGJYEJSRLH-UHFFFAOYSA-N

INCHI

1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H

Isomères SMILES

C1=CN=CN=C1

WGK Allemagne

3

RTECS

UV6263000

Numéro ONU

1993

Poids moléculaire

80.09

Beilstein

103894

Reaxy-Rn

103894

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103894&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: Pyrimidines and pyrimidine derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.
• External Descriptors: a ring

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)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

TBXAS1 Tchem Thromboxane-A synthase (3355 Activities)

Discover Target: TBXAS1

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Fully miscible in water.alcohols: soluble；diethyl ether: soluble；
• Sensibilité: Hygroscopic.
• Point de congélation (°C): 21 °C
• Indice de réfraction: 1.501-1.504
• Point d'éclair (°F): 93.2 °F
• Point d'éclair (°C): 34 °C
• Point d'ébullition (°C): 123-124°C
• Point de fusion (°C): 20-22°C
• Poids moléculaire: 80.090 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 80.0374 Da
• Monoisotopic Mass: 80.0374 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 32.500
• 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