4-(2,5,6-Trichloro-pyrimidin-4-ylamino)-piperidine-1-carboxylic acid tert-butyl ester

HCID 86618554
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(Nc2nc(Cl)nc(Cl)c2Cl)CC1
InChIKey
PIZZTMPDJJJSSO-UHFFFAOYSA-N
Molecular formula
C14H19Cl3N4O2
Average molar mass
381.7 g/mol

Names & identifiers

Preferred name
4-(2,5,6-Trichloro-pyrimidin-4-ylamino)-piperidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[(2,5,6-trichloropyrimidin-4-yl)amino]piperidine-1-carboxylate

Names & synonyms

SCHEMBL1748337PIZZTMPDJJJSSO-UHFFFAOYSA-N4-(2,5,6-Trichloro-pyrimidin-4-ylamino)-piperidine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
86618554

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
67.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
23

Related reactions

5 records
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Compound notes

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