Dicyclanil - 10mM in DMSO , CAS No.112636-83-6

CAS: 112636-83-6 Cat. No.: D420659 分子式: C₈H₁₀N₆ 分子量: 190.21 Beilstein Registry Number: 9265760 EC番号: 601-192-4

GRADE & PURITY 10mM in DMSO

Synonyms

A802619 | CLIK | Dicyclanil | J-514108 | 4,6-diamino-2-cyclopropylaminopyrimidine-5-carbonitrile | DBC8O809S5 | AKOS006283479 | Dicyclanil, PESTANAL(R), analytical standard | BCP08674 | Dicyclanil [ISO] | 2-(Cyclopropylamino)-4,6-diamino-5-cyanopyrimidine

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

同義語

A802619 | CLIK | Dicyclanil | J-514108 | 4,6-diamino-2-cyclopropylaminopyrimidine-5-carbonitrile | DBC8O809S5 | AKOS006283479 | Dicyclanil, PESTANAL(R), analytical standard | BCP08674 | Dicyclanil [ISO] | 2-(Cyclopropylamino)-4,6-diamino-5-cyanopyrimidine

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

パブケム・シド

528771153

カノニカル・スマイル

C1CC1NC2=NC(=C(C(=N2)N)C#N)N

IUPAC Name

4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile

InChIKey

PKTIFYGCWCQRSX-UHFFFAOYSA-N

INCHI

1S/C8H10N6/c9-3-5-6(10)13-8(14-7(5)11)12-4-1-2-4/h4H,1-2H2,(H5,10,11,12,13,14)

異性体SMILES

C1CC1NC2=NC(=C(C(=N2)N)C#N)N

WGKドイツ

2

分子量

190.21

Beilstein

9265760

Reaxy-Rn

9265760

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9265760&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyrimidines and derivatives
• Alternative Parents: Secondary alkylarylamines Imidolactams Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Secondary aliphatic/aromatic amine - Aminopyrimidine - Imidolactam - Heteroaromatic compound - Azacycle - Secondary amine - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: Not available

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

化学的性質と物理的性質

• 分子量: 190.210 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 190.097 Da
• Monoisotopic Mass: 190.097 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 242.000
• 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