Pyrimidine - ≥98% , CAS No.289-95-2

CAS: 289-95-2 Cat. No.: P107069 분자식: C₄H₄N₂ 분자량: 80.09 Beilstein Registry Number: 103894 EC 번호: 206-026-0

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Room temperature,Desiccated

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

508812981

Pubchem Sid Url

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

정식 스마일

C1=CN=CN=C1

IUPAC Name

pyrimidine

InChIKey

CZPWVGJYEJSRLH-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

C1=CN=CN=C1

WGK 독일

3

RTECS

UV6263000

UN 번호

1993

분자량

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
    • 분류 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Hygroscopic.
• 동결점(°C): 21 °C
• 굴절률: 1.501-1.504
• 발화점(°F): 93.2 °F
• 발화점(°C): 34 °C
• 끓는점(°C): 123-124°C
• 녹는점(°C): 20-22°C
• 분자량: 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