chempirical

2-Pyrimidinecarbonitrile

C5H3N3CAS 14080-23-0105.10 g/mol

Open in Covalent MOL file
NNN
Nitrile

Properties

Molecular formula
C5H3N3
Molar mass
105.10 g/mol
Exact mass
105.0327 Da
Melting point
24 °C
logP
0.35Crippen estimate
Polar surface area
49.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
14080-23-0
SMILES
N#Cc1ncccn1
InChIKey
IIHQNAXFIODVDU-UHFFFAOYSA-N
InChI
InChI=1S/C5H3N3/c6-4-5-7-2-1-3-8-5/h1-3H

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Names and synonyms

1 names
  • 2-Cyanopyrimidine

Work with 2-Pyrimidinecarbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Cyanopyridine100-70-950 % similar 5-Fluoro-2-pyrimidinecarbonitrile38275-55-748 % similar 5-Bromo-2-pyrimidinecarbonitrile38275-57-948 % similar 5-Amino-2-pyrimidinecarbonitrile56621-93-348 % similar 1H-1,2,4-Triazole-5-carbonitrile3641-10-942 % similar 3-Cyano-2-pyridone20577-27-941 % similar 3-Methyl-2-pyridinecarbonitrile20970-75-641 % similar 2-Fluoro-3-pyridinecarbonitrile3939-13-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Pyrazinecarbonitrile19847-12-2 4-Pyridazinecarbonitrile68776-62-5

Elsewhere

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