4-chloro-6-piperidin-1-yl-2-pyridin-4-ylpyrimidine

C14H15ClN4 — CID 134382765

IUPAC4-chloro-6-piperidin-1-yl-2-pyridin-4-ylpyrimidine
SMILESClc1cc(N2CCCCC2)nc(-c2ccncc2)n1
InChIInChI=1S/C14H15ClN4/c15-12-10-13(19-8-2-1-3-9-19)18-14(17-12)11-4-6-16-7-5-11/h4-7,10H,1-3,8-9H2
InChIKeyNLEUEAYLDHZJKQ-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.18
Rot. Bonds2

About 4-chloro-6-piperidin-1-yl-2-pyridin-4-ylpyrimidine

4-chloro-6-piperidin-1-yl-2-pyridin-4-ylpyrimidine (PubChem CID 134382765) has the molecular formula C14H15ClN4 and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-6-piperidin-1-yl-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-piperidin-1-yl-2-pyridin-4-ylpyrimidine
PubChem CID134382765
Molecular FormulaC14H15ClN4
Molecular Weight274.75 g/mol
Exact Mass274.10
IUPAC Name4-chloro-6-piperidin-1-yl-2-pyridin-4-ylpyrimidine
SMILESClc1cc(N2CCCCC2)nc(-c2ccncc2)n1
InChIInChI=1S/C14H15ClN4/c15-12-10-13(19-8-2-1-3-9-19)18-14(17-12)11-4-6-16-7-5-11/h4-7,10H,1-3,8-9H2
InChIKeyNLEUEAYLDHZJKQ-UHFFFAOYSA-N
XLogP3.18
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-piperidin-1-yl-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-chloro-6-piperidin-1-yl-2-pyridin-4-ylpyrimidine (CID 134382765) is 4-chloro-6-piperidin-1-yl-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-piperidin-1-yl-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-chloro-6-piperidin-1-yl-2-pyridin-4-ylpyrimidine is Clc1cc(N2CCCCC2)nc(-c2ccncc2)n1.
What is the InChIKey of 4-chloro-6-piperidin-1-yl-2-pyridin-4-ylpyrimidine?
The InChIKey is NLEUEAYLDHZJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c15-12-10-13(19-8-2-1-3-9-19)18-14(17-12)11-4-6-16-7-5-11/h4-7,10H,1-3,8-9H2.
What are the key properties of 4-chloro-6-piperidin-1-yl-2-pyridin-4-ylpyrimidine?
4-chloro-6-piperidin-1-yl-2-pyridin-4-ylpyrimidine has a molecular weight of 274.75 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-piperidin-1-yl-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 134382765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).