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

C18H22FN3O3S — CID 122260655

IUPAC4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine
SMILESCc1cc(OC2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)nc(C)n1
InChIInChI=1S/C18H22FN3O3S/c1-12-9-15(19)6-7-17(12)26(23,24)22-8-4-5-16(11-22)25-18-10-13(2)20-14(3)21-18/h6-7,9-10,16H,4-5,8,11H2,1-3H3
InChIKeyTYLDBJKMNHYAEG-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.77
Rot. Bonds4

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

4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine (PubChem CID 122260655) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine
PubChem CID122260655
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC Name4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine
SMILESCc1cc(OC2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)nc(C)n1
InChIInChI=1S/C18H22FN3O3S/c1-12-9-15(19)6-7-17(12)26(23,24)22-8-4-5-16(11-22)25-18-10-13(2)20-14(3)21-18/h6-7,9-10,16H,4-5,8,11H2,1-3H3
InChIKeyTYLDBJKMNHYAEG-UHFFFAOYSA-N
XLogP2.77
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-(4-fluoro-2-methylphenyl)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

N-[2-(4-Methoxy-6-methyl-pyrimidin-2-yloxy)-ethyl]-2,5-dimethyl-benzenesulfonamide
CID 648848
N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 1212198
2,5-dimethyl-N-[2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyethyl]benzenesulfonamide
CID 659847
4-[3-(6-Methyl-2-phenylpyrimidin-4-yl)oxypropyl]morpholine
CID 118722983
4-[4-(6-Methyl-2-phenylpyrimidin-4-yl)oxybutyl]morpholine
CID 118722984
4-[5-(6-Methyl-2-phenylpyrimidin-4-yl)oxypentyl]morpholine
CID 118722985
4-[(E)-4-(6-methyl-2-phenylpyrimidin-4-yl)oxybut-2-enyl]morpholine
CID 118722987
4-[2-[2-(6-Methyl-2-phenylpyrimidin-4-yl)oxyethoxy]ethyl]morpholine
CID 118722988
1-(6-Methyl-2-phenylpyrimidin-4-yl)oxy-3-morpholin-4-ylpropan-2-ol
CID 118722989
N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-4-methyl-benzenesulfonamide
CID 767952
N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 1118003
4-[2-(6-Methyl-2-phenylpyrimidin-4-yl)oxyethyl]morpholine
CID 21760765

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine?
The IUPAC name of 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine (CID 122260655) is 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine?
The canonical SMILES for 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine is Cc1cc(OC2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)nc(C)n1.
What is the InChIKey of 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine?
The InChIKey is TYLDBJKMNHYAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-12-9-15(19)6-7-17(12)26(23,24)22-8-4-5-16(11-22)25-18-10-13(2)20-14(3)21-18/h6-7,9-10,16H,4-5,8,11H2,1-3H3.
What are the key properties of 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine?
4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine has a molecular weight of 379.46 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine is sourced from PubChem (CID 122260655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).