7-(2-fluorophenyl)-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one

C18H11FN2O2S — CID 78321116

IUPAC7-(2-fluorophenyl)-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2scc(-c3ccccc3F)c2ncn1-c1ccc(O)cc1
InChIInChI=1S/C18H11FN2O2S/c19-15-4-2-1-3-13(15)14-9-24-17-16(14)20-10-21(18(17)23)11-5-7-12(22)8-6-11/h1-10,22H
InChIKeyAMFCWGBEFJIARV-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.96
Rot. Bonds2

About 7-(2-fluorophenyl)-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one

7-(2-fluorophenyl)-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 78321116) has the molecular formula C18H11FN2O2S and a molecular weight of 338.36 g/mol. Its IUPAC name is 7-(2-fluorophenyl)-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2-fluorophenyl)-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID78321116
Molecular FormulaC18H11FN2O2S
Molecular Weight338.36 g/mol
Exact Mass338.05
IUPAC Name7-(2-fluorophenyl)-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2scc(-c3ccccc3F)c2ncn1-c1ccc(O)cc1
InChIInChI=1S/C18H11FN2O2S/c19-15-4-2-1-3-13(15)14-9-24-17-16(14)20-10-21(18(17)23)11-5-7-12(22)8-6-11/h1-10,22H
InChIKeyAMFCWGBEFJIARV-UHFFFAOYSA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenyl)-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(2-fluorophenyl)-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one (CID 78321116) is 7-(2-fluorophenyl)-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2-fluorophenyl)-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(2-fluorophenyl)-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one is O=c1c2scc(-c3ccccc3F)c2ncn1-c1ccc(O)cc1.
What is the InChIKey of 7-(2-fluorophenyl)-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is AMFCWGBEFJIARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O2S/c19-15-4-2-1-3-13(15)14-9-24-17-16(14)20-10-21(18(17)23)11-5-7-12(22)8-6-11/h1-10,22H.
What are the key properties of 7-(2-fluorophenyl)-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one?
7-(2-fluorophenyl)-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 338.36 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenyl)-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 78321116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).