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

C15H20FN5O3S — CID 119100778

IUPAC5-fluoro-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESCC(C)n1cnc(S(=O)(=O)N2CCCC(Oc3ncc(F)cn3)C2)c1
InChIInChI=1S/C15H20FN5O3S/c1-11(2)20-9-14(19-10-20)25(22,23)21-5-3-4-13(8-21)24-15-17-6-12(16)7-18-15/h6-7,9-11,13H,3-5,8H2,1-2H3
InChIKeyWSRFKXXZEDFUOH-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.63
Rot. Bonds5

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

5-fluoro-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine (PubChem CID 119100778) has the molecular formula C15H20FN5O3S and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-fluoro-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
PubChem CID119100778
Molecular FormulaC15H20FN5O3S
Molecular Weight369.42 g/mol
Exact Mass369.13
IUPAC Name5-fluoro-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESCC(C)n1cnc(S(=O)(=O)N2CCCC(Oc3ncc(F)cn3)C2)c1
InChIInChI=1S/C15H20FN5O3S/c1-11(2)20-9-14(19-10-20)25(22,23)21-5-3-4-13(8-21)24-15-17-6-12(16)7-18-15/h6-7,9-11,13H,3-5,8H2,1-2H3
InChIKeyWSRFKXXZEDFUOH-UHFFFAOYSA-N
XLogP1.63
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.63
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-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine?
The IUPAC name of 5-fluoro-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine (CID 119100778) is 5-fluoro-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine.
What is the SMILES notation for 5-fluoro-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine?
The canonical SMILES for 5-fluoro-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine is CC(C)n1cnc(S(=O)(=O)N2CCCC(Oc3ncc(F)cn3)C2)c1.
What is the InChIKey of 5-fluoro-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine?
The InChIKey is WSRFKXXZEDFUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O3S/c1-11(2)20-9-14(19-10-20)25(22,23)21-5-3-4-13(8-21)24-15-17-6-12(16)7-18-15/h6-7,9-11,13H,3-5,8H2,1-2H3.
What are the key properties of 5-fluoro-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine?
5-fluoro-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine has a molecular weight of 369.42 g/mol, XLogP of 1.63, 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-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 119100778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).