3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one

C14H9FN2O2S — CID 33278023

IUPAC3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2ccsc2c1=O)c1ccccc1F
InChIInChI=1S/C14H9FN2O2S/c15-10-4-2-1-3-9(10)12(18)7-17-8-16-11-5-6-20-13(11)14(17)19/h1-6,8H,7H2
InChIKeyFCIRMOPPAFWPJL-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.48
Rot. Bonds3

About 3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one

3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 33278023) has the molecular formula C14H9FN2O2S and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID33278023
Molecular FormulaC14H9FN2O2S
Molecular Weight288.30 g/mol
Exact Mass288.04
IUPAC Name3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2ccsc2c1=O)c1ccccc1F
InChIInChI=1S/C14H9FN2O2S/c15-10-4-2-1-3-9(10)12(18)7-17-8-16-11-5-6-20-13(11)14(17)19/h1-6,8H,7H2
InChIKeyFCIRMOPPAFWPJL-UHFFFAOYSA-N
XLogP2.48
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one (CID 33278023) is 3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one is O=C(Cn1cnc2ccsc2c1=O)c1ccccc1F.
What is the InChIKey of 3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is FCIRMOPPAFWPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S/c15-10-4-2-1-3-9(10)12(18)7-17-8-16-11-5-6-20-13(11)14(17)19/h1-6,8H,7H2.
What are the key properties of 3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one?
3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 288.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 33278023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).