5-chloro-N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]pyrimidin-2-amine

C16H25ClN4 — CID 131924906

IUPAC5-chloro-N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]pyrimidin-2-amine
SMILESClc1cnc(NCCC2CCCCN2C2CCCC2)nc1
InChIInChI=1S/C16H25ClN4/c17-13-11-19-16(20-12-13)18-9-8-15-7-3-4-10-21(15)14-5-1-2-6-14/h11-12,14-15H,1-10H2,(H,18,19,20)
InChIKeyMWLMNLJLEJGNPL-UHFFFAOYSA-N
MW308.86 g/mol
LogP3.73
Rot. Bonds5

About 5-chloro-N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]pyrimidin-2-amine

5-chloro-N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 131924906) has the molecular formula C16H25ClN4 and a molecular weight of 308.86 g/mol. Its IUPAC name is 5-chloro-N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]pyrimidin-2-amine
PubChem CID131924906
Molecular FormulaC16H25ClN4
Molecular Weight308.86 g/mol
Exact Mass308.18
IUPAC Name5-chloro-N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]pyrimidin-2-amine
SMILESClc1cnc(NCCC2CCCCN2C2CCCC2)nc1
InChIInChI=1S/C16H25ClN4/c17-13-11-19-16(20-12-13)18-9-8-15-7-3-4-10-21(15)14-5-1-2-6-14/h11-12,14-15H,1-10H2,(H,18,19,20)
InChIKeyMWLMNLJLEJGNPL-UHFFFAOYSA-N
XLogP3.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]pyrimidin-2-amine (CID 131924906) is 5-chloro-N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]pyrimidin-2-amine is Clc1cnc(NCCC2CCCCN2C2CCCC2)nc1.
What is the InChIKey of 5-chloro-N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is MWLMNLJLEJGNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4/c17-13-11-19-16(20-12-13)18-9-8-15-7-3-4-10-21(15)14-5-1-2-6-14/h11-12,14-15H,1-10H2,(H,18,19,20).
What are the key properties of 5-chloro-N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]pyrimidin-2-amine?
5-chloro-N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 308.86 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 131924906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).