4-Amino-5-cyanopyrimidine

C₅H₄N₄CAS 16357-69-0120.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₄N₄
Molar mass: 120.11 g/mol
Exact mass: 120.0436 Da
Melting point: 250 °C
logP: -0.24Crippen estimate
Polar surface area: 76.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Identifiers

CAS number

16357-69-0

SMILES

N#Cc1c[nH]cnc1=N

InChIKey

JAIYUIOGVNRXEW-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

5-Pyrimidinecarbonitrile, 4-amino-
4-Amino-5-pyrimidinecarbonitrile

Work with 4-Amino-5-cyanopyrimidine

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

1H-Imidazole-5-carbonitrile57090-88-750 % similar 4-Amino-2-methyl-5-pyrimidinecarbonitrile698-29-349 % similar 4-Amino-2-bromo-5-pyrimidinecarbonitrile94741-70-547 % similar 3-Amino-4-cyanopyrazole16617-46-238 % similar 1H-Pyrrolo[2,3-B]pyridine-3-carbonitrile4414-89-533 % similar 2-Fluoro-3-pyridinecarbonitrile3939-13-732 % similar 4,5-Dicyanoimidazole1122-28-732 % similar 1H-1,2,4-Triazole-5-carbonitrile3641-10-932 % similar

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

Same formula

Purine120-73-0 5-Amino-2-pyrimidinecarbonitrile56621-93-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook