tert-Butyl(1R,5S)-3-(2-chloropyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

C₁₅H₂₁ClN₄O₂CAS 201162-46-1324.81 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Tertiary amine

Properties

Molecular formula: C₁₅H₂₁ClN₄O₂
Molar mass: 324.81 g/mol
Exact mass: 324.1353 Da
logP: 2.72Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 1

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

201162-46-1

SMILES

CC(C)(C)OC(=O)N1C2CCC1CN(C2)C3=NC(=NC=C3)Cl

InChIKey

OECIBZZKIXVOKZ-UHFFFAOYSA-N

InChI

InChI=1S/C15H21ClN4O2/c1-15(2,3)22-14(21)20-10-4-5-11(20)9-19(8-10)12-6-7-17-13(16)18-12/h6-7,10-11H,4-5,8-9H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

tert-Butyl 3-(2-chloropyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

Work with tert-Butyl(1R,5S)-3-(2-chloropyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

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

tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-846 % similar N-Boc-nortropinone185099-67-645 % similar tert-Butyl 3-endo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate143557-91-943 % similar rac-tert-Butyl (1R,3S,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate207405-68-343 % similar N-Boc-exo-3-aminotropane744183-20-843 % similar N-Boc-9-azabicyclo[3.3.1]nonan-3-one512822-27-441 % similar 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester869494-16-640 % similar N-Boc-cis-2,6-diethyl-4-piperidone1003843-30-838 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook