5-fluoro-2-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine

C16H22FN5O3S — CID 122267273

IUPAC5-fluoro-2-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESCC(C)c1nc(S(=O)(=O)N2CCCC(Oc3ncc(F)cn3)C2)cn1C
InChIInChI=1S/C16H22FN5O3S/c1-11(2)15-20-14(10-21(15)3)26(23,24)22-6-4-5-13(9-22)25-16-18-7-12(17)8-19-16/h7-8,10-11,13H,4-6,9H2,1-3H3
InChIKeyAIDXRFGVNZUEPZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.70
Rot. Bonds5

About 5-fluoro-2-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine

5-fluoro-2-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine (PubChem CID 122267273) has the molecular formula C16H22FN5O3S and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-fluoro-2-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
PubChem CID122267273
Molecular FormulaC16H22FN5O3S
Molecular Weight383.45 g/mol
Exact Mass383.14
IUPAC Name5-fluoro-2-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESCC(C)c1nc(S(=O)(=O)N2CCCC(Oc3ncc(F)cn3)C2)cn1C
InChIInChI=1S/C16H22FN5O3S/c1-11(2)15-20-14(10-21(15)3)26(23,24)22-6-4-5-13(9-22)25-16-18-7-12(17)8-19-16/h7-8,10-11,13H,4-6,9H2,1-3H3
InChIKeyAIDXRFGVNZUEPZ-UHFFFAOYSA-N
XLogP1.70
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine?
The IUPAC name of 5-fluoro-2-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine (CID 122267273) is 5-fluoro-2-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine.
What is the SMILES notation for 5-fluoro-2-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine?
The canonical SMILES for 5-fluoro-2-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine is CC(C)c1nc(S(=O)(=O)N2CCCC(Oc3ncc(F)cn3)C2)cn1C.
What is the InChIKey of 5-fluoro-2-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine?
The InChIKey is AIDXRFGVNZUEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5O3S/c1-11(2)15-20-14(10-21(15)3)26(23,24)22-6-4-5-13(9-22)25-16-18-7-12(17)8-19-16/h7-8,10-11,13H,4-6,9H2,1-3H3.
What are the key properties of 5-fluoro-2-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine?
5-fluoro-2-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine has a molecular weight of 383.45 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 122267273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).