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

C19H25N3O3S — CID 122258137

IUPAC2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(OC2CCCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)n1
InChIInChI=1S/C19H25N3O3S/c1-13-7-8-18(10-14(13)2)26(23,24)22-9-5-6-17(12-22)25-19-20-15(3)11-16(4)21-19/h7-8,10-11,17H,5-6,9,12H2,1-4H3
InChIKeyLYOLSFVYTHTCMR-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.94
Rot. Bonds4

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

2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine (PubChem CID 122258137) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
PubChem CID122258137
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(OC2CCCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)n1
InChIInChI=1S/C19H25N3O3S/c1-13-7-8-18(10-14(13)2)26(23,24)22-9-5-6-17(12-22)25-19-20-15(3)11-16(4)21-19/h7-8,10-11,17H,5-6,9,12H2,1-4H3
InChIKeyLYOLSFVYTHTCMR-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

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Related Compounds

2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 122258128
4-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylbenzonitrile
CID 122258202
4,6-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122258159
methyl N-[4-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]carbamate
CID 122258216
2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 122258167
2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 122258223
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 122257847
5-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-2-fluorobenzoic acid
CID 129356264
4-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine
CID 122260605
4,6-dimethyl-2-[1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122258213
1-[4-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 122260596
1-(3,4-dimethylphenyl)sulfonyl-3-methylsulfanylpiperidine
CID 91813604

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine (CID 122258137) is 2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine is Cc1cc(C)nc(OC2CCCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)n1.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine?
The InChIKey is LYOLSFVYTHTCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-13-7-8-18(10-14(13)2)26(23,24)22-9-5-6-17(12-22)25-19-20-15(3)11-16(4)21-19/h7-8,10-11,17H,5-6,9,12H2,1-4H3.
What are the key properties of 2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine?
2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-4,6-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 2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine is sourced from PubChem (CID 122258137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).