3-[2-(2-fluorophenoxy)ethyl]thieno[3,2-d]pyrimidin-4-one

C14H11FN2O2S — CID 51280202

IUPAC3-[2-(2-fluorophenoxy)ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CCOc1ccccc1F
InChIInChI=1S/C14H11FN2O2S/c15-10-3-1-2-4-12(10)19-7-6-17-9-16-11-5-8-20-13(11)14(17)18/h1-5,8-9H,6-7H2
InChIKeyGBKLWROROATFLK-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.68
Rot. Bonds4

About 3-[2-(2-fluorophenoxy)ethyl]thieno[3,2-d]pyrimidin-4-one

3-[2-(2-fluorophenoxy)ethyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 51280202) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[2-(2-fluorophenoxy)ethyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-fluorophenoxy)ethyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID51280202
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Name3-[2-(2-fluorophenoxy)ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CCOc1ccccc1F
InChIInChI=1S/C14H11FN2O2S/c15-10-3-1-2-4-12(10)19-7-6-17-9-16-11-5-8-20-13(11)14(17)18/h1-5,8-9H,6-7H2
InChIKeyGBKLWROROATFLK-UHFFFAOYSA-N
XLogP2.68
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenoxy)ethyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(2-fluorophenoxy)ethyl]thieno[3,2-d]pyrimidin-4-one (CID 51280202) is 3-[2-(2-fluorophenoxy)ethyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-fluorophenoxy)ethyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2-fluorophenoxy)ethyl]thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1CCOc1ccccc1F.
What is the InChIKey of 3-[2-(2-fluorophenoxy)ethyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is GBKLWROROATFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c15-10-3-1-2-4-12(10)19-7-6-17-9-16-11-5-8-20-13(11)14(17)18/h1-5,8-9H,6-7H2.
What are the key properties of 3-[2-(2-fluorophenoxy)ethyl]thieno[3,2-d]pyrimidin-4-one?
3-[2-(2-fluorophenoxy)ethyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 290.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenoxy)ethyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 51280202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).