5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfinylpyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfonylpyrimidine;4-(methylsulfonylmethyl)piperidine

C46H56Cl3N11O7S4 — CID 158972583

About 5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfinylpyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfonylpyrimidine;4-(methylsulfonylmethyl)piperidine

5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfinylpyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfonylpyrimidine;4-(methylsulfonylmethyl)piperidine (PubChem CID 158972583) has the molecular formula C46H56Cl3N11O7S4 and a molecular weight of 1109.65 g/mol. Its IUPAC name is 5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfinylpyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfonylpyrimidine;4-(methylsulfonylmethyl)piperidine.

Molecular Properties

• Compound Name: 5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfinylpyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfonylpyrimidine;4-(methylsulfonylmethyl)piperidine
• PubChem CID: 158972583
• Molecular Formula: C46H56Cl3N11O7S4
• Molecular Weight: 1109.65 g/mol
• Exact Mass: 1107.23
• IUPAC Name: 5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfinylpyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfonylpyrimidine;4-(methylsulfonylmethyl)piperidine
• SMILES: CS(=O)(=O)CC1CCNCC1.Cc1cccnc1-c1nc(N2CCC(CS(C)(=O)=O)CC2)ncc1Cl.Cc1cccnc1-c1nc(S(C)(=O)=O)ncc1Cl.Cc1cccnc1-c1nc(S(C)=O)ncc1Cl
• InChI: InChI=1S/C17H21ClN4O2S.C11H10ClN3O2S.C11H10ClN3OS.C7H15NO2S/c1-12-4-3-7-19-15(12)16-14(18)10-20-17(21-16)22-8-5-13(6-9-22)11-25(2,23)24;1-7-4-3-5-13-9(7)10-8(12)6-14-11(15-10)18(2,16)17;1-7-4-3-5-13-9(7)10-8(12)6-14-11(15-10)17(2)16;1-11(9,10)6-7-2-4-8-5-3-7/h3-4,7,10,13H,5-6,8-9,11H2,1-2H3;3-6H,1-2H3;3-6H,1-2H3;7-8H,2-6H2,1H3
• InChIKey: JNZPAWLVQFVWFE-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 250.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1109.65
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfinylpyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfonylpyrimidine;4-(methylsulfonylmethyl)piperidine?

The IUPAC name of 5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfinylpyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfonylpyrimidine;4-(methylsulfonylmethyl)piperidine (CID 158972583) is 5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfinylpyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfonylpyrimidine;4-(methylsulfonylmethyl)piperidine.

What is the SMILES notation for 5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfinylpyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfonylpyrimidine;4-(methylsulfonylmethyl)piperidine?

The canonical SMILES for 5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfinylpyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfonylpyrimidine;4-(methylsulfonylmethyl)piperidine is CS(=O)(=O)CC1CCNCC1.Cc1cccnc1-c1nc(N2CCC(CS(C)(=O)=O)CC2)ncc1Cl.Cc1cccnc1-c1nc(S(C)(=O)=O)ncc1Cl.Cc1cccnc1-c1nc(S(C)=O)ncc1Cl.

What is the InChIKey of 5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfinylpyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfonylpyrimidine;4-(methylsulfonylmethyl)piperidine?

The InChIKey is JNZPAWLVQFVWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2S.C11H10ClN3O2S.C11H10ClN3OS.C7H15NO2S/c1-12-4-3-7-19-15(12)16-14(18)10-20-17(21-16)22-8-5-13(6-9-22)11-25(2,23)24;1-7-4-3-5-13-9(7)10-8(12)6-14-11(15-10)18(2,16)17;1-7-4-3-5-13-9(7)10-8(12)6-14-11(15-10)17(2)16;1-11(9,10)6-7-2-4-8-5-3-7/h3-4,7,10,13H,5-6,8-9,11H2,1-2H3;3-6H,1-2H3;3-6H,1-2H3;7-8H,2-6H2,1H3.

What are the key properties of 5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfinylpyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfonylpyrimidine;4-(methylsulfonylmethyl)piperidine?

5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfinylpyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfonylpyrimidine;4-(methylsulfonylmethyl)piperidine has a molecular weight of 1109.65 g/mol, XLogP of 6.93, 10 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfinylpyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-[4-(methylsulfonylmethyl)piperidin-1-yl]pyrimidine;5-chloro-4-(3-methyl-2-pyridinyl)-2-methylsulfonylpyrimidine;4-(methylsulfonylmethyl)piperidine is sourced from PubChem (CID 158972583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).