2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine

Name: 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₈N₄O₂S — CID 154787039

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine

SMILESCS(=O)(=O)c1ccc(N2CCC(c3ncccn3)CC2)nc1

InChIInChI=1S/C15H18N4O2S/c1-22(20,21)13-3-4-14(18-11-13)19-9-5-12(6-10-19)15-16-7-2-8-17-15/h2-4,7-8,11-12H,5-6,9-10H2,1H3

InChIKeyQLLWMFAKIFDYJT-UHFFFAOYSA-N

MW318.40 g/mol

LogP1.66

Rot. Bonds3

About 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine

2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine (PubChem CID 154787039) has the molecular formula C₁₅H₁₈N₄O₂S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine.

Molecular Properties

Compound Name	2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine
PubChem CID	154787039
Molecular Formula	C₁₅H₁₈N₄O₂S
Molecular Weight	318.40 g/mol
Exact Mass	318.12
IUPAC Name	2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine
SMILES	CS(=O)(=O)c1ccc(N2CCC(c3ncccn3)CC2)nc1
InChI	InChI=1S/C15H18N4O2S/c1-22(20,21)13-3-4-14(18-11-13)19-9-5-12(6-10-19)15-16-7-2-8-17-15/h2-4,7-8,11-12H,5-6,9-10H2,1H3
InChIKey	QLLWMFAKIFDYJT-UHFFFAOYSA-N
XLogP	1.66
TPSA	76.05 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.40
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine?

The IUPAC name of 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine (CID 154787039) is 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine.

What is the SMILES notation for 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine?

The canonical SMILES for 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine is CS(=O)(=O)c1ccc(N2CCC(c3ncccn3)CC2)nc1.

What is the InChIKey of 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine?

The InChIKey is QLLWMFAKIFDYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-22(20,21)13-3-4-14(18-11-13)19-9-5-12(6-10-19)15-16-7-2-8-17-15/h2-4,7-8,11-12H,5-6,9-10H2,1H3.

What are the key properties of 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine?

2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine has a molecular weight of 318.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine is sourced from PubChem (CID 154787039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 154787039 — identifiers, structure, computed properties (public domain)

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