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2-Tert-butyl-4-cyclobutyl-6-[4-(3-pyridin-2-ylsulfanylpropyl)piperazin-1-yl]pyrimidine

HCID 69029175
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)(C)c1nc(C2CCC2)cc(N2CCN(CCCSc3ccccn3)CC2)n1
InChIKey
RCSYCTUZBVKELF-UHFFFAOYSA-N
Molecular formula
C24H35N5S
Average molar mass
425.6 g/mol

Names & identifiers

Preferred name
2-Tert-butyl-4-cyclobutyl-6-[4-(3-pyridin-2-ylsulfanylpropyl)piperazin-1-yl]pyrimidine
IUPAC
2-tert-butyl-4-cyclobutyl-6-[4-(3-pyridin-2-ylsulfanylpropyl)piperazin-1-yl]pyrimidine

Names & synonyms

SCHEMBL4399844

Database identifiers

PubChem CID
69029175

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
70.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
30
Formal charge
0
Complexity
512

Related reactions

1 records
New reaction record
HRID 126036 reaction equation
HRID 126036As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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