5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine

C11H16ClN3O — CID 71640164

IUPAC5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine
SMILESClc1cnc(OCCC2CCNCC2)nc1
InChIInChI=1S/C11H16ClN3O/c12-10-7-14-11(15-8-10)16-6-3-9-1-4-13-5-2-9/h7-9,13H,1-6H2
InChIKeyJRNJAXMRIXMXMW-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.90
Rot. Bonds4

About 5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine

5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine (PubChem CID 71640164) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine
PubChem CID71640164
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine
SMILESClc1cnc(OCCC2CCNCC2)nc1
InChIInChI=1S/C11H16ClN3O/c12-10-7-14-11(15-8-10)16-6-3-9-1-4-13-5-2-9/h7-9,13H,1-6H2
InChIKeyJRNJAXMRIXMXMW-UHFFFAOYSA-N
XLogP1.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine?
The IUPAC name of 5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine (CID 71640164) is 5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine.
What is the SMILES notation for 5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine?
The canonical SMILES for 5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine is Clc1cnc(OCCC2CCNCC2)nc1.
What is the InChIKey of 5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine?
The InChIKey is JRNJAXMRIXMXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-10-7-14-11(15-8-10)16-6-3-9-1-4-13-5-2-9/h7-9,13H,1-6H2.
What are the key properties of 5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine?
5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine has a molecular weight of 241.72 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine is sourced from PubChem (CID 71640164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).