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

C18H12FN3OS — CID 30849298

IUPAC7-(3-fluorophenyl)-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2scc(-c3cccc(F)c3)c2ncn1Cc1ccccn1
InChIInChI=1S/C18H12FN3OS/c19-13-5-3-4-12(8-13)15-10-24-17-16(15)21-11-22(18(17)23)9-14-6-1-2-7-20-14/h1-8,10-11H,9H2
InChIKeyNWPYZOLDDXLQAL-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.71
Rot. Bonds3

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

7-(3-fluorophenyl)-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 30849298) has the molecular formula C18H12FN3OS and a molecular weight of 337.38 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3-fluorophenyl)-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID30849298
Molecular FormulaC18H12FN3OS
Molecular Weight337.38 g/mol
Exact Mass337.07
IUPAC Name7-(3-fluorophenyl)-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2scc(-c3cccc(F)c3)c2ncn1Cc1ccccn1
InChIInChI=1S/C18H12FN3OS/c19-13-5-3-4-12(8-13)15-10-24-17-16(15)21-11-22(18(17)23)9-14-6-1-2-7-20-14/h1-8,10-11H,9H2
InChIKeyNWPYZOLDDXLQAL-UHFFFAOYSA-N
XLogP3.71
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(3-fluorophenyl)-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one (CID 30849298) is 7-(3-fluorophenyl)-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3-fluorophenyl)-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(3-fluorophenyl)-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one is O=c1c2scc(-c3cccc(F)c3)c2ncn1Cc1ccccn1.
What is the InChIKey of 7-(3-fluorophenyl)-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is NWPYZOLDDXLQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3OS/c19-13-5-3-4-12(8-13)15-10-24-17-16(15)21-11-22(18(17)23)9-14-6-1-2-7-20-14/h1-8,10-11H,9H2.
What are the key properties of 7-(3-fluorophenyl)-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one?
7-(3-fluorophenyl)-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 337.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 30849298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).