5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridin-2-ylpyrimidine

C16H19ClN4O2S — CID 69046662

IUPAC5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridin-2-ylpyrimidine
SMILESCS(=O)(=O)CC1CCN(c2ncc(Cl)c(-c3ccccn3)n2)CC1
InChIInChI=1S/C16H19ClN4O2S/c1-24(22,23)11-12-5-8-21(9-6-12)16-19-10-13(17)15(20-16)14-4-2-3-7-18-14/h2-4,7,10,12H,5-6,8-9,11H2,1H3
InChIKeyWIUONIVBHKJJRG-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.45
Rot. Bonds4

About 5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridin-2-ylpyrimidine

5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridin-2-ylpyrimidine (PubChem CID 69046662) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is 5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridin-2-ylpyrimidine
PubChem CID69046662
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC Name5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridin-2-ylpyrimidine
SMILESCS(=O)(=O)CC1CCN(c2ncc(Cl)c(-c3ccccn3)n2)CC1
InChIInChI=1S/C16H19ClN4O2S/c1-24(22,23)11-12-5-8-21(9-6-12)16-19-10-13(17)15(20-16)14-4-2-3-7-18-14/h2-4,7,10,12H,5-6,8-9,11H2,1H3
InChIKeyWIUONIVBHKJJRG-UHFFFAOYSA-N
XLogP2.45
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridin-2-ylpyrimidine?
The IUPAC name of 5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridin-2-ylpyrimidine (CID 69046662) is 5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridin-2-ylpyrimidine.
What is the SMILES notation for 5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridin-2-ylpyrimidine?
The canonical SMILES for 5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridin-2-ylpyrimidine is CS(=O)(=O)CC1CCN(c2ncc(Cl)c(-c3ccccn3)n2)CC1.
What is the InChIKey of 5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridin-2-ylpyrimidine?
The InChIKey is WIUONIVBHKJJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c1-24(22,23)11-12-5-8-21(9-6-12)16-19-10-13(17)15(20-16)14-4-2-3-7-18-14/h2-4,7,10,12H,5-6,8-9,11H2,1H3.
What are the key properties of 5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridin-2-ylpyrimidine?
5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridin-2-ylpyrimidine has a molecular weight of 366.87 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridin-2-ylpyrimidine is sourced from PubChem (CID 69046662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).