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4-Chloro-5-phenyl-6-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)furo[2,3-d]pyrimidine

HCID 58603268
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Clc1ncnc2oc(-c3ccc(OCCN4CCCC4)cc3)c(-c3ccccc3)c12
InChIKey
JIZBWFUVJZONQI-UHFFFAOYSA-N
Molecular formula
C24H22ClN3O2
Average molar mass
419.9 g/mol

Names & identifiers

Preferred name
4-Chloro-5-phenyl-6-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)furo[2,3-d]pyrimidine
IUPAC
4-chloro-5-phenyl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidine

Names & synonyms

SCHEMBL2978094JIZBWFUVJZONQI-UHFFFAOYSA-N4-chloro-5-phenyl-6-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)furo[2,3-d]pyrimidine

Database identifiers

PubChem CID
58603268

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
51.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Formal charge
0
Complexity
533

Related reactions

4 records
New reaction record
HRID 502640 reaction equation
HRID 502640As productuspto-grants-2010_08
HRID 502641 reaction equation
HRID 502641As reactantuspto-grants-2010_08
HRID 502645 reaction equation
HRID 502645As productuspto-grants-2010_08
HRID 834914 reaction equation
HRID 834914As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes