tert-Butyl 2-(((5-chloropyrimidin-2-yl)amino)methyl)pyrrolidine-1-carboxylate

HCID 67090504
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCCC1CNc1ncc(Cl)cn1
InChIKey
KTTYZLATKCZGOS-UHFFFAOYSA-N
Molecular formula
C14H21ClN4O2
Average molar mass
312.79 g/mol

Names & identifiers

Preferred name
tert-Butyl 2-(((5-chloropyrimidin-2-yl)amino)methyl)pyrrolidine-1-carboxylate
IUPAC
tert-butyl 2-[[(5-chloropyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate

Names & synonyms

tert-Butyl 2-(((5-chloropyrimidin-2-yl)amino)methyl)pyrrolidine-1-carboxylate1420900-24-8SCHEMBL1598122KTTYZLATKCZGOS-UHFFFAOYSA-NDB-245287((5-Chloro-pyrimidin-2-ylamino)-methyl]-pyrrolidine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
67090504

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
67.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
21

Related reactions

1 records
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Linked notes

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