2-ethoxy-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone

C12H16FN3O3 — CID 129354368

IUPAC2-ethoxy-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
SMILESCCOCC(=O)N1CC[C@@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C12H16FN3O3/c1-2-18-8-11(17)16-4-3-10(7-16)19-12-14-5-9(13)6-15-12/h5-6,10H,2-4,7-8H2,1H3/t10-/m1/s1
InChIKeyDXZITKLQRHFICP-SNVBAGLBSA-N
MW269.28 g/mol
LogP0.63
Rot. Bonds5

About 2-ethoxy-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone

2-ethoxy-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone (PubChem CID 129354368) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-ethoxy-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
PubChem CID129354368
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name2-ethoxy-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
SMILESCCOCC(=O)N1CC[C@@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C12H16FN3O3/c1-2-18-8-11(17)16-4-3-10(7-16)19-12-14-5-9(13)6-15-12/h5-6,10H,2-4,7-8H2,1H3/t10-/m1/s1
InChIKeyDXZITKLQRHFICP-SNVBAGLBSA-N
XLogP0.63
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclobutyl-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 129491136
2-ethoxy-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 172882241
2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258510
2-benzylsulfanyl-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 129355253
[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129491148
2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626367
2-ethoxy-1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627331
2-cyclohexyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258293
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone
CID 119100246
2-(benzimidazol-1-yl)-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 129355815
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-ethoxyethanone
CID 91627081
1-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 121017797

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone (CID 129354368) is 2-ethoxy-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone is CCOCC(=O)N1CC[C@@H](Oc2ncc(F)cn2)C1.
What is the InChIKey of 2-ethoxy-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone?
The InChIKey is DXZITKLQRHFICP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-2-18-8-11(17)16-4-3-10(7-16)19-12-14-5-9(13)6-15-12/h5-6,10H,2-4,7-8H2,1H3/t10-/m1/s1.
What are the key properties of 2-ethoxy-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone?
2-ethoxy-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone has a molecular weight of 269.28 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 129354368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).