[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-thiophen-3-ylmethanone

C13H12FN3O2S — CID 119100407

IUPAC[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H12FN3O2S/c14-10-5-15-13(16-6-10)19-11-1-3-17(7-11)12(18)9-2-4-20-8-9/h2,4-6,8,11H,1,3,7H2
InChIKeyRJJGNIVIXMSYHA-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.97
Rot. Bonds3

About [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-thiophen-3-ylmethanone

[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 119100407) has the molecular formula C13H12FN3O2S and a molecular weight of 293.32 g/mol. Its IUPAC name is [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-thiophen-3-ylmethanone
PubChem CID119100407
Molecular FormulaC13H12FN3O2S
Molecular Weight293.32 g/mol
Exact Mass293.06
IUPAC Name[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H12FN3O2S/c14-10-5-15-13(16-6-10)19-11-1-3-17(7-11)12(18)9-2-4-20-8-9/h2,4-6,8,11H,1,3,7H2
InChIKeyRJJGNIVIXMSYHA-UHFFFAOYSA-N
XLogP1.97
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-thiophen-3-ylmethanone (CID 119100407) is [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is RJJGNIVIXMSYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2S/c14-10-5-15-13(16-6-10)19-11-1-3-17(7-11)12(18)9-2-4-20-8-9/h2,4-6,8,11H,1,3,7H2.
What are the key properties of [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-thiophen-3-ylmethanone?
[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 293.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 119100407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).