4,6-dichloro-5-cyclopentyl-2-piperidin-1-ylpyrimidine

C14H19Cl2N3 — CID 112569417

IUPAC4,6-dichloro-5-cyclopentyl-2-piperidin-1-ylpyrimidine
SMILESClc1nc(N2CCCCC2)nc(Cl)c1C1CCCC1
InChIInChI=1S/C14H19Cl2N3/c15-12-11(10-6-2-3-7-10)13(16)18-14(17-12)19-8-4-1-5-9-19/h10H,1-9H2
InChIKeyLPUBVABBRZOPHV-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.43
Rot. Bonds2

About 4,6-dichloro-5-cyclopentyl-2-piperidin-1-ylpyrimidine

4,6-dichloro-5-cyclopentyl-2-piperidin-1-ylpyrimidine (PubChem CID 112569417) has the molecular formula C14H19Cl2N3 and a molecular weight of 300.23 g/mol. Its IUPAC name is 4,6-dichloro-5-cyclopentyl-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-cyclopentyl-2-piperidin-1-ylpyrimidine
PubChem CID112569417
Molecular FormulaC14H19Cl2N3
Molecular Weight300.23 g/mol
Exact Mass299.10
IUPAC Name4,6-dichloro-5-cyclopentyl-2-piperidin-1-ylpyrimidine
SMILESClc1nc(N2CCCCC2)nc(Cl)c1C1CCCC1
InChIInChI=1S/C14H19Cl2N3/c15-12-11(10-6-2-3-7-10)13(16)18-14(17-12)19-8-4-1-5-9-19/h10H,1-9H2
InChIKeyLPUBVABBRZOPHV-UHFFFAOYSA-N
XLogP4.43
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-cyclopentyl-2-piperidin-1-ylpyrimidine?
The IUPAC name of 4,6-dichloro-5-cyclopentyl-2-piperidin-1-ylpyrimidine (CID 112569417) is 4,6-dichloro-5-cyclopentyl-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-cyclopentyl-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-cyclopentyl-2-piperidin-1-ylpyrimidine is Clc1nc(N2CCCCC2)nc(Cl)c1C1CCCC1.
What is the InChIKey of 4,6-dichloro-5-cyclopentyl-2-piperidin-1-ylpyrimidine?
The InChIKey is LPUBVABBRZOPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3/c15-12-11(10-6-2-3-7-10)13(16)18-14(17-12)19-8-4-1-5-9-19/h10H,1-9H2.
What are the key properties of 4,6-dichloro-5-cyclopentyl-2-piperidin-1-ylpyrimidine?
4,6-dichloro-5-cyclopentyl-2-piperidin-1-ylpyrimidine has a molecular weight of 300.23 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-cyclopentyl-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 112569417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).