1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione

C17H23FN4O5S — CID 119100497

IUPAC1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione
SMILESCCc1ncnc(OC2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)C2)c1F
InChIInChI=1S/C17H23FN4O5S/c1-2-13-16(18)17(20-11-19-13)27-12-6-7-21(10-12)28(25,26)9-8-22-14(23)4-3-5-15(22)24/h11-12H,2-10H2,1H3
InChIKeyRMWLOMNNACKYAS-UHFFFAOYSA-N
MW414.46 g/mol
LogP0.50
Rot. Bonds7

About 1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione

1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione (PubChem CID 119100497) has the molecular formula C17H23FN4O5S and a molecular weight of 414.46 g/mol. Its IUPAC name is 1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione
PubChem CID119100497
Molecular FormulaC17H23FN4O5S
Molecular Weight414.46 g/mol
Exact Mass414.14
IUPAC Name1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione
SMILESCCc1ncnc(OC2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)C2)c1F
InChIInChI=1S/C17H23FN4O5S/c1-2-13-16(18)17(20-11-19-13)27-12-6-7-21(10-12)28(25,26)9-8-22-14(23)4-3-5-15(22)24/h11-12H,2-10H2,1H3
InChIKeyRMWLOMNNACKYAS-UHFFFAOYSA-N
XLogP0.50
TPSA109.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-5-fluoro-6-[(3S)-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine
CID 124759329
2-cyclopropyl-1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone
CID 124856133
1-[2-[(3S)-3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 129564366
(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)(1-(methylsulfonyl)piperidin-4-yl)methanone
CID 91815905
2-Cyclopropyl-1-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)ethanone
CID 91815907
4-Ethyl-5-fluoro-6-((1-((3,3,3-trifluoropropyl)sulfonyl)pyrrolidin-3-yl)oxy)pyrimidine
CID 91815911
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)pent-4-en-1-one
CID 119100448
1-(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 119100453
(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 119100476
4-((1-(Cyclopropylsulfonyl)pyrrolidin-3-yl)oxy)-6-ethyl-5-fluoropyrimidine
CID 119100499
Ethyl 4-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-4-oxobutanoate
CID 121017685

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione (CID 119100497) is 1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione is CCc1ncnc(OC2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)C2)c1F.
What is the InChIKey of 1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The InChIKey is RMWLOMNNACKYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O5S/c1-2-13-16(18)17(20-11-19-13)27-12-6-7-21(10-12)28(25,26)9-8-22-14(23)4-3-5-15(22)24/h11-12H,2-10H2,1H3.
What are the key properties of 1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione?
1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione has a molecular weight of 414.46 g/mol, XLogP of 0.50, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione is sourced from PubChem (CID 119100497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).