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2-Pyrimidinecarbonitrile - 2mM in DMSO, high purity , CAS No.14080-23-0
Basic Description
Synonyms
AM20080306 | 2-Cyanopyrimidine | 2-cyano-pyrimidine | 2-Cyano pyrimidine | pyrimidine-2-carbonitrile | STK503786 | BB 0216629 | pyrimidin-2-carbonitrile | DTXSID40864466 | EN300-43565 | AKOS000279271 | 2-Pyrimidinecarbonitrile, 97% | NCGC00185023-01 | PB2
Specifications & Purity
2mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidines and pyrimidine derivatives
Alternative Parents
Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - 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
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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
pyrimidine-2-carbonitrile
INCHI
InChI=1S/C5H3N3/c6-4-5-7-2-1-3-8-5/h1-3H
InChIKey
IIHQNAXFIODVDU-UHFFFAOYSA-N
Smiles
C1=CN=C(N=C1)C#N
Isomeric SMILES
C1=CN=C(N=C1)C#N
WGK Germany
3
Molecular Weight
105.1
Reaxy-Rn
109639
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109639&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
>230 °F
Flash Point(°C)
>110 °C
Melt Point(°C)
41°C
Molecular Weight
105.100 g/mol
XLogP3
-0.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
105.033 Da
Monoisotopic Mass
105.033 Da
Topological Polar Surface Area
49.600 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
106.000
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
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