2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine

C14H18FN5O3S — CID 122258706

IUPAC2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
SMILESCc1nc(S(=O)(=O)N2CCCC(Oc3ncc(F)cn3)C2)cn1C
InChIInChI=1S/C14H18FN5O3S/c1-10-18-13(9-19(10)2)24(21,22)20-5-3-4-12(8-20)23-14-16-6-11(15)7-17-14/h6-7,9,12H,3-5,8H2,1-2H3
InChIKeyZCDUJQBDBJVTSY-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.89
Rot. Bonds4

About 2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine

2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine (PubChem CID 122258706) has the molecular formula C14H18FN5O3S and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine.

Molecular Properties

Compound Name2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
PubChem CID122258706
Molecular FormulaC14H18FN5O3S
Molecular Weight355.40 g/mol
Exact Mass355.11
IUPAC Name2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
SMILESCc1nc(S(=O)(=O)N2CCCC(Oc3ncc(F)cn3)C2)cn1C
InChIInChI=1S/C14H18FN5O3S/c1-10-18-13(9-19(10)2)24(21,22)20-5-3-4-12(8-20)23-14-16-6-11(15)7-17-14/h6-7,9,12H,3-5,8H2,1-2H3
InChIKeyZCDUJQBDBJVTSY-UHFFFAOYSA-N
XLogP0.89
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]-1H-imidazole-4-sulfonamide
CID 91626446
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)-2-isopropyl-1-methyl-1H-imidazole-4-sulfonamide
CID 91814144
2-((1-((1,2-dimethyl-1H-imidazol-4-yl)sulfonyl)pyrrolidin-3-yl)oxy)-5-fluoropyrimidine
CID 119100432
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)-1-isopropyl-1H-imidazole-4-sulfonamide
CID 90634577
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)-1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 90634582
(4aR,7aS)-4-(5-fluoropyrimidin-2-yl)-6-(1-methylimidazol-4-yl)sulfonyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510725
5-fluoro-2-((1-((1-isopropyl-1H-imidazol-4-yl)sulfonyl)piperidin-3-yl)oxy)pyrimidine
CID 119100778
2-((1-((1H-imidazol-4-yl)sulfonyl)piperidin-3-yl)oxy)-5-fluoropyrimidine
CID 122258680
5-fluoro-2-((1-((1-methyl-1H-imidazol-4-yl)sulfonyl)piperidin-3-yl)oxy)pyrimidine
CID 122258684
2-((1-((1-ethyl-2-methyl-1H-imidazol-4-yl)sulfonyl)piperidin-3-yl)oxy)-5-fluoropyrimidine
CID 122267258
5-fluoro-2-((1-((2-isopropyl-1-methyl-1H-imidazol-4-yl)sulfonyl)piperidin-3-yl)oxy)pyrimidine
CID 122267273
2-((1-((1-methyl-1H-imidazol-4-yl)sulfonyl)piperidin-3-yl)oxy)-4-(trifluoromethyl)pyrimidine
CID 122267870

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine?
The IUPAC name of 2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine (CID 122258706) is 2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine.
What is the SMILES notation for 2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine?
The canonical SMILES for 2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine is Cc1nc(S(=O)(=O)N2CCCC(Oc3ncc(F)cn3)C2)cn1C.
What is the InChIKey of 2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine?
The InChIKey is ZCDUJQBDBJVTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O3S/c1-10-18-13(9-19(10)2)24(21,22)20-5-3-4-12(8-20)23-14-16-6-11(15)7-17-14/h6-7,9,12H,3-5,8H2,1-2H3.
What are the key properties of 2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine?
2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine has a molecular weight of 355.40 g/mol, XLogP of 0.89, 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-5-fluoropyrimidine is sourced from PubChem (CID 122258706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).