2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine

C15H20FN5O3S — CID 122267258

IUPAC2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
SMILESCCn1cc(S(=O)(=O)N2CCCC(Oc3ncc(F)cn3)C2)nc1C
InChIInChI=1S/C15H20FN5O3S/c1-3-20-10-14(19-11(20)2)25(22,23)21-6-4-5-13(9-21)24-15-17-7-12(16)8-18-15/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyNDRWSUKHHUGDCP-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.37
Rot. Bonds5

About 2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine

2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine (PubChem CID 122267258) has the molecular formula C15H20FN5O3S and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine.

Molecular Properties

Compound Name2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
PubChem CID122267258
Molecular FormulaC15H20FN5O3S
Molecular Weight369.42 g/mol
Exact Mass369.13
IUPAC Name2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
SMILESCCn1cc(S(=O)(=O)N2CCCC(Oc3ncc(F)cn3)C2)nc1C
InChIInChI=1S/C15H20FN5O3S/c1-3-20-10-14(19-11(20)2)25(22,23)21-6-4-5-13(9-21)24-15-17-7-12(16)8-18-15/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyNDRWSUKHHUGDCP-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine?
The IUPAC name of 2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine (CID 122267258) is 2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine.
What is the SMILES notation for 2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine?
The canonical SMILES for 2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine is CCn1cc(S(=O)(=O)N2CCCC(Oc3ncc(F)cn3)C2)nc1C.
What is the InChIKey of 2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine?
The InChIKey is NDRWSUKHHUGDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O3S/c1-3-20-10-14(19-11(20)2)25(22,23)21-6-4-5-13(9-21)24-15-17-7-12(16)8-18-15/h7-8,10,13H,3-6,9H2,1-2H3.
What are the key properties of 2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine?
2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine has a molecular weight of 369.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine is sourced from PubChem (CID 122267258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).