Cgp 57380

C₁₁H₉FN₆CAS 522629-08-9244.23 g/mol

Open in Covalent MOL file

Aryl halide Primary amine Secondary amine

Properties

Molecular formula: C₁₁H₉FN₆
Molar mass: 244.23 g/mol
Exact mass: 244.0873 Da
logP: 1.82Crippen estimate
Polar surface area: 92.5 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

522629-08-9

SMILES

C1=CC(=CC=C1NC2=C3C(=NC=NC3=NN2)N)F

InChIKey

UQPMANVRZYYQMD-UHFFFAOYSA-N

InChI

InChI=1S/C11H9FN6/c12-6-1-3-7(4-2-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)

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Work with Cgp 57380

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

3-Iodo-1H-pyrazolo(3,4-d)pyrimidin-4-amine151266-23-845 % similar 5-Fluoroquinazolin-4-amine137553-48-133 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook