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

C17H19F2N3O3S — CID 122258167

IUPAC2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(OC2CCCN(S(=O)(=O)c3c(F)cccc3F)C2)n1
InChIInChI=1S/C17H19F2N3O3S/c1-11-9-12(2)21-17(20-11)25-13-5-4-8-22(10-13)26(23,24)16-14(18)6-3-7-15(16)19/h3,6-7,9,13H,4-5,8,10H2,1-2H3
InChIKeyYSPKVFVTMCPYOV-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.60
Rot. Bonds4

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

2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine (PubChem CID 122258167) has the molecular formula C17H19F2N3O3S and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
PubChem CID122258167
Molecular FormulaC17H19F2N3O3S
Molecular Weight383.42 g/mol
Exact Mass383.11
IUPAC Name2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(OC2CCCN(S(=O)(=O)c3c(F)cccc3F)C2)n1
InChIInChI=1S/C17H19F2N3O3S/c1-11-9-12(2)21-17(20-11)25-13-5-4-8-22(10-13)26(23,24)16-14(18)6-3-7-15(16)19/h3,6-7,9,13H,4-5,8,10H2,1-2H3
InChIKeyYSPKVFVTMCPYOV-UHFFFAOYSA-N
XLogP2.60
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261674
2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 122258137
4,6-dimethyl-2-[1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122258213
4,6-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122258159
4-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylbenzonitrile
CID 122258202
2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 122258223
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 122258128
methyl N-[4-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]carbamate
CID 122258216
5-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-2-fluorobenzoic acid
CID 129356264
2-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 121017608
2-[(3S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 129355041
N-[5-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122267205

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine?
The IUPAC name of 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine (CID 122258167) is 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine is Cc1cc(C)nc(OC2CCCN(S(=O)(=O)c3c(F)cccc3F)C2)n1.
What is the InChIKey of 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine?
The InChIKey is YSPKVFVTMCPYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3S/c1-11-9-12(2)21-17(20-11)25-13-5-4-8-22(10-13)26(23,24)16-14(18)6-3-7-15(16)19/h3,6-7,9,13H,4-5,8,10H2,1-2H3.
What are the key properties of 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine?
2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine has a molecular weight of 383.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine is sourced from PubChem (CID 122258167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).