4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine

C15H18N4O2S — CID 126468341

IUPAC4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine
SMILESCS(=O)(=O)N1CCCC(c2ncncc2-c2ccncc2)C1
InChIInChI=1S/C15H18N4O2S/c1-22(20,21)19-8-2-3-13(10-19)15-14(9-17-11-18-15)12-4-6-16-7-5-12/h4-7,9,11,13H,2-3,8,10H2,1H3
InChIKeyLJTFXMAYOVCHDT-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.68
Rot. Bonds3

About 4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine

4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine (PubChem CID 126468341) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine
PubChem CID126468341
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine
SMILESCS(=O)(=O)N1CCCC(c2ncncc2-c2ccncc2)C1
InChIInChI=1S/C15H18N4O2S/c1-22(20,21)19-8-2-3-13(10-19)15-14(9-17-11-18-15)12-4-6-16-7-5-12/h4-7,9,11,13H,2-3,8,10H2,1H3
InChIKeyLJTFXMAYOVCHDT-UHFFFAOYSA-N
XLogP1.68
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 95817357
1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 126468602
[1-(4-methoxyphenyl)cyclopropyl]-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 16670493
2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine
CID 110257451
(4,5-dichloro-1,2-thiazol-3-yl)-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 16670558
2,3-dihydro-1,4-benzodioxin-6-yl-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 16670177
2-(2-methylbenzimidazol-1-yl)-1-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110213945
2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110256284
2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125024996
2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110082276
4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260059
2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole
CID 124982395

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine?
The IUPAC name of 4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine (CID 126468341) is 4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine is CS(=O)(=O)N1CCCC(c2ncncc2-c2ccncc2)C1.
What is the InChIKey of 4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine?
The InChIKey is LJTFXMAYOVCHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-22(20,21)19-8-2-3-13(10-19)15-14(9-17-11-18-15)12-4-6-16-7-5-12/h4-7,9,11,13H,2-3,8,10H2,1H3.
What are the key properties of 4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine?
4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine has a molecular weight of 318.40 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine is sourced from PubChem (CID 126468341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).