Home Nitriles Pyrimidine-2-carbonitrile

Pyrimidine-2-carbonitrile

CAS No.:
14080-23-0
Catalog Number:
AG001CRU
Molecular Formula:
C5H3N3
Molecular Weight:
105.0974
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$75
- +
500g
98%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG001CRU
Chemical Name:
Pyrimidine-2-carbonitrile
CAS Number:
14080-23-0
Molecular Formula:
C5H3N3
Molecular Weight:
105.0974
MDL Number:
MFCD00160513
IUPAC Name:
pyrimidine-2-carbonitrile
InChI:
InChI=1S/C5H3N3/c6-4-5-7-2-1-3-8-5/h1-3H
InChI Key:
IIHQNAXFIODVDU-UHFFFAOYSA-N
SMILES:
N#Cc1ncccn1
EC Number:
604-202-5
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
105.033g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
105.1g/mol
Monoisotopic Mass:
105.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
3D-QSAR and molecular docking studies of 2-pyrimidinecarbonitrile derivatives as inhibitors against falcipain-3. Bioorganic & medicinal chemistry letters 20111201
Unprecedented copper(I)-catalyzed in situ double cycloaddition reaction based on 2-cyanopyrimidine. Dalton transactions (Cambridge, England : 2003) 20110607
Poly[(μ(2)-nitrato-κO:O')(μ(2)-pyrimidin-ium-2-carboxyl-ato-κO:O')lithium(I)]. Acta crystallographica. Section E, Structure reports online 20110601
Mining a cathepsin inhibitor library for new antiparasitic drug leads. PLoS neglected tropical diseases 20110501
Top-hits for H1N1pdm Identified by Virtual Screening Using Ensemble-based Docking. PLoS currents 20110103
Synthesis and characterization of novel 2, 2'-bipyrimidine fluorescent derivative for protein binding. Chemistry Central journal 20110101
Protease-associated cellular networks in malaria parasite Plasmodium falciparum. BMC genomics 20110101
Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG. Bioorganic & medicinal chemistry letters 20101101
Mixed azide and 5-(pyrimidyl)tetrazole bridged Co(II)/Mn(II) polymers: synthesis, crystal structures, ferroelectric and magnetic behavior. Inorganic chemistry 20100920
Falcipain inhibitors: optimization studies of the 2-pyrimidinecarbonitrile lead series. Journal of medicinal chemistry 20100826
4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important. Bioorganic & medicinal chemistry letters 20100801
6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors. Bioorganic & medicinal chemistry letters 20100801
Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors. Bioorganic & medicinal chemistry letters 20100301
The Diels-Alder-reaction with inverse-electron-demand, a very efficient versatile click-reaction concept for proper ligation of variable molecular partners. International journal of medical sciences 20100101
Gain of a 500-fold sensitivity on an intravital MR contrast agent based on an endohedral gadolinium-cluster-fullerene-conjugate: a new chance in cancer diagnostics. International journal of medical sciences 20100101
A cyclic-RGD-BioShuttle functionalized with TMZ by DARinv 'Click Chemistry' targeted to αvβ3 integrin for therapy. International journal of medical sciences 20100101
Overcoming hERG issues for brain-penetrating cathepsin S inhibitors: 2-cyanopyrimidines. Part 2. Bioorganic & medicinal chemistry letters 20081001
Ensemble-based virtual screening reveals potential novel antiviral compounds for avian influenza neuraminidase. Journal of medicinal chemistry 20080710
Poly[diaqua-μ(2)-oxalato-di-μ(2)-pyrimidine-2-carboxyl-ato-dimanganese(II)]. Acta crystallographica. Section E, Structure reports online 20080501
A manganese(II) coordination polymer with mixed pyrimidine-2-carboxylate and oxalate bridges: synthesis, structure, and magnetism. Dalton transactions (Cambridge, England : 2003) 20080421
Bis(pyrimidine-2-carboxyl-ato-κN,O)copper(II). Acta crystallographica. Section E, Structure reports online 20080101
Pyrimidine-2-carboxamide. Acta crystallographica. Section E, Structure reports online 20080101
1,2-Bis[amino-(pyrimidin-2-yl)methyl-ene]hydrazine dihydrate. Acta crystallographica. Section E, Structure reports online 20080101
Synthesis, X-ray structures and luminescence properties of three multidimensional metal-organic frameworks incorporating the versatile 5-(pyrimidyl)tetrazolato bridging ligand. Dalton transactions (Cambridge, England : 2003) 20070514
Self-assembled cationic heterochiral honeycomb-layered metal complexes with the in situ generated pyrimidine-2-carboxylato bisdidentate ligand. Hydrothermal synthesis, crystal structures, magnetic properties, and theoretical study of [M2(micro-pymca)3]OH.H2O (M = FeII, CoII). Inorganic chemistry 20070402
5-Cyanopyrimidine derivatives as a novel class of potent, selective, and orally active inhibitors of p38alpha MAP kinase. Journal of medicinal chemistry 20051006
Properties