5-Amino-2-pyrimidinecarbonitrile

C₅H₄N₄CAS 56621-93-3120.11 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₅H₄N₄
Molar mass: 120.11 g/mol
Exact mass: 120.0436 Da
Melting point: 230–231 °C
logP: -0.07Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 0

Identifiers

CAS number

56621-93-3

SMILES

N#Cc1ncc(N)cn1

InChIKey

NOMODHWDBMCWFQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H4N4/c6-1-5-8-2-4(7)3-9-5/h2-3H,7H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

2-Pyrimidinecarbonitrile, 5-amino-
2-Cyano-5-pyrimidinamine
2-Cyano-5-aminopyrimidine
5-Amino-2-cyanopyrimidine

Work with 5-Amino-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

5-Fluoro-2-pyrimidinecarbonitrile38275-55-754 % similar 5-Bromo-2-pyrimidinecarbonitrile38275-57-954 % similar 2-Pyrimidinecarbonitrile14080-23-048 % similar 2-Chloro-5-pyrimidinamine56621-90-044 % similar 4-Aminobenzonitrile873-74-541 % similar 1H-1,2,4-Triazole-5-carbonitrile3641-10-938 % similar 4′-Amino[1,1′-biphenyl]-4-carbonitrile4854-84-637 % similar 4-Amino-1,2-benzenedicarbonitrile56765-79-837 % similar

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

Same formula

Purine120-73-0 4-Amino-5-cyanopyrimidine16357-69-0

Elsewhere

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