4-ethyl-5-fluoro-6-[1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine

C13H17F4N3O3S — CID 91815911

IUPAC4-ethyl-5-fluoro-6-[1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine
SMILESCCc1ncnc(OC2CCN(S(=O)(=O)CCC(F)(F)F)C2)c1F
InChIInChI=1S/C13H17F4N3O3S/c1-2-10-11(14)12(19-8-18-10)23-9-3-5-20(7-9)24(21,22)6-4-13(15,16)17/h8-9H,2-7H2,1H3
InChIKeyCUFINOIKGBBDMX-UHFFFAOYSA-N
MW371.36 g/mol
LogP1.91
Rot. Bonds6

About 4-ethyl-5-fluoro-6-[1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine

4-ethyl-5-fluoro-6-[1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine (PubChem CID 91815911) has the molecular formula C13H17F4N3O3S and a molecular weight of 371.36 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-[1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-[1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine
PubChem CID91815911
Molecular FormulaC13H17F4N3O3S
Molecular Weight371.36 g/mol
Exact Mass371.09
IUPAC Name4-ethyl-5-fluoro-6-[1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine
SMILESCCc1ncnc(OC2CCN(S(=O)(=O)CCC(F)(F)F)C2)c1F
InChIInChI=1S/C13H17F4N3O3S/c1-2-10-11(14)12(19-8-18-10)23-9-3-5-20(7-9)24(21,22)6-4-13(15,16)17/h8-9H,2-7H2,1H3
InChIKeyCUFINOIKGBBDMX-UHFFFAOYSA-N
XLogP1.91
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-((3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)sulfonyl)ethyl)piperidine-2,6-dione
CID 119100497
4-ethyl-5-fluoro-6-[(3S)-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine
CID 124759329
4-Ethyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-sulfonamide
CID 53944257
1-(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-2-methoxyethanone
CID 91815903
4-Ethyl-5-fluoro-6-pyrrolidin-3-yloxypyrimidine
CID 108152361
2-(Cyclopentylthio)-1-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)ethanone
CID 119100438
1-(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 119100453
4-((1-(Cyclopropylsulfonyl)pyrrolidin-3-yl)oxy)-6-ethyl-5-fluoropyrimidine
CID 119100499
4-Ethyl-5-fluoro-6-{[1-(pyrrolidine-1-sulfonyl)pyrrolidin-3-yl]oxy}pyrimidine
CID 119100507
Ethyl 3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidine-1-carboxylate
CID 121017696
1-(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 121017727
4-Ethyl-5-fluoro-6-((1-(methylsulfonyl)pyrrolidin-3-yl)oxy)pyrimidine
CID 121017748

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-[1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-[1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine (CID 91815911) is 4-ethyl-5-fluoro-6-[1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-[1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-[1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine is CCc1ncnc(OC2CCN(S(=O)(=O)CCC(F)(F)F)C2)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-[1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine?
The InChIKey is CUFINOIKGBBDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4N3O3S/c1-2-10-11(14)12(19-8-18-10)23-9-3-5-20(7-9)24(21,22)6-4-13(15,16)17/h8-9H,2-7H2,1H3.
What are the key properties of 4-ethyl-5-fluoro-6-[1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine?
4-ethyl-5-fluoro-6-[1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine has a molecular weight of 371.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-[1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine is sourced from PubChem (CID 91815911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).