3-[3-(2-Chloro-pyrimidin-4-yl)-benzylamino]-pyrrolidine-1-carboxylic acid tert-butyl ester

HCID 86603268
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(NCc2cccc(-c3ccnc(Cl)n3)c2)C1
InChIKey
OWYNUQDOYHVACI-UHFFFAOYSA-N
Molecular formula
C20H25ClN4O2
Average molar mass
388.9 g/mol

Names & identifiers

Preferred name
3-[3-(2-Chloro-pyrimidin-4-yl)-benzylamino]-pyrrolidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 3-[[3-(2-chloropyrimidin-4-yl)phenyl]methylamino]pyrrolidine-1-carboxylate

Names & synonyms

SCHEMBL1466903OWYNUQDOYHVACI-UHFFFAOYSA-N3-[3-(2-Chloro-pyrimidin-4-yl)-benzylamino]-pyrrolidine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
86603268

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
67.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
27

Related reactions

10 records
New reaction record

Linked notes

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