4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine

C19H25N3O3S — CID 122260571

IUPAC4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)c(C)c1
InChIInChI=1S/C19H25N3O3S/c1-13-7-8-18(14(2)10-13)26(23,24)22-9-5-6-17(12-22)25-19-11-15(3)20-16(4)21-19/h7-8,10-11,17H,5-6,9,12H2,1-4H3
InChIKeySRGLTWAYJSRSHB-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.94
Rot. Bonds4

About 4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine

4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine (PubChem CID 122260571) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine
PubChem CID122260571
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)c(C)c1
InChIInChI=1S/C19H25N3O3S/c1-13-7-8-18(14(2)10-13)26(23,24)22-9-5-6-17(12-22)25-19-11-15(3)20-16(4)21-19/h7-8,10-11,17H,5-6,9,12H2,1-4H3
InChIKeySRGLTWAYJSRSHB-UHFFFAOYSA-N
XLogP2.94
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine
CID 122161152
4-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine
CID 122260605
1-[4-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 122260596
2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine
CID 122268391
4-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxy-2,6-dimethylpyrimidine
CID 122260610
N-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide
CID 122261147
1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 122260579
3-bromo-1-(2,4-dimethylphenyl)sulfonylpiperidine
CID 80675434
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 122260327
2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 122258137
4-cyclobutyloxy-2,6-dimethylpyrimidine
CID 126953843

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine?
The IUPAC name of 4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine (CID 122260571) is 4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine?
The canonical SMILES for 4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine is Cc1ccc(S(=O)(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)c(C)c1.
What is the InChIKey of 4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine?
The InChIKey is SRGLTWAYJSRSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-13-7-8-18(14(2)10-13)26(23,24)22-9-5-6-17(12-22)25-19-11-15(3)20-16(4)21-19/h7-8,10-11,17H,5-6,9,12H2,1-4H3.
What are the key properties of 4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine?
4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine has a molecular weight of 375.49 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine is sourced from PubChem (CID 122260571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).