Pyrimidine - ≥98% , CAS No.289-95-2

CAS: 289-95-2 Cat. No.: P107069 Formula: C₄H₄N₂ Peso molecolare: 80.09 Beilstein Registry Number: 103894 Numero EC: 206-026-0

QUALITÀ & PUREZZA ≥98%

Synonyms

AKOS015892547 | m-Diazine | Epitope ID:140100 | 1,3-Diazabenzene | EINECS 206-026-0 | Pyrimidine, >=98.0% | 1,3-Diazin | DTXCID4029850 | K8CXK5Q32L | H10864 | Q207722 | PYRIMIDINE | Pyrimidine dimer | Pyrimidine, dimer | AMY390 | pyrimidine phase I | InCh

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifiche

Sinonimi

AKOS015892547 | m-Diazine | Epitope ID:140100 | 1,3-Diazabenzene | EINECS 206-026-0 | Pyrimidine, >=98.0% | 1,3-Diazin | DTXCID4029850 | K8CXK5Q32L | H10864 | Q207722 | PYRIMIDINE | Pyrimidine dimer | Pyrimidine, dimer | AMY390 | pyrimidine phase I | InCh

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508812981

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812981

Sorrisi canonici

C1=CN=CN=C1

IUPAC Name

pyrimidine

InChIKey

CZPWVGJYEJSRLH-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

C1=CN=CN=C1

WGK Germania

3

RTECS

UV6263000

Numero UN

1993

Peso molecolare

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
• Descrizione: 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

Obiettivi associati (umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Hygroscopic.
• Punto di congelamento (°C): 21 °C
• Indice di rifrazione: 1.501-1.504
• Punto di infiammabilità (°F): 93.2 °F
• Punto di infiammabilità (°C): 34 °C
• Punto di ebollizione (°C): 123-124°C
• Punto di fusione (°C): 20-22°C
• Peso molecolare: 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