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

C16H23N5O3S — CID 122258223

IUPAC2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(OC2CCCN(S(=O)(=O)c3cn(C)c(C)n3)C2)n1
InChIInChI=1S/C16H23N5O3S/c1-11-8-12(2)18-16(17-11)24-14-6-5-7-21(9-14)25(22,23)15-10-20(4)13(3)19-15/h8,10,14H,5-7,9H2,1-4H3
InChIKeyFFXJKIIWXMZHCI-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.37
Rot. Bonds4

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

2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine (PubChem CID 122258223) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
PubChem CID122258223
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(OC2CCCN(S(=O)(=O)c3cn(C)c(C)n3)C2)n1
InChIInChI=1S/C16H23N5O3S/c1-11-8-12(2)18-16(17-11)24-14-6-5-7-21(9-14)25(22,23)15-10-20(4)13(3)19-15/h8,10,14H,5-7,9H2,1-4H3
InChIKeyFFXJKIIWXMZHCI-UHFFFAOYSA-N
XLogP1.37
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine
CID 91627734
2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 122258137
2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 122258167
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-methylpiperidin-3-amine
CID 62536924
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
N-[5-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122267205
4,6-dimethyl-2-[1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122258213
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 122258128
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine
CID 63878417
5-ethyl-2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122268482
methyl N-[4-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]carbamate
CID 122258216

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine?
The IUPAC name of 2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine (CID 122258223) is 2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine is Cc1cc(C)nc(OC2CCCN(S(=O)(=O)c3cn(C)c(C)n3)C2)n1.
What is the InChIKey of 2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine?
The InChIKey is FFXJKIIWXMZHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-11-8-12(2)18-16(17-11)24-14-6-5-7-21(9-14)25(22,23)15-10-20(4)13(3)19-15/h8,10,14H,5-7,9H2,1-4H3.
What are the key properties of 2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine?
2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine has a molecular weight of 365.46 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine is sourced from PubChem (CID 122258223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).