7-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C18H12FN3O2S — CID 137429704

IUPAC7-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(F)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12
InChIInChI=1S/C18H12FN3O2S/c1-24-14-6-5-10(19)8-11(14)12-9-25-16-15(12)21-17(22-18(16)23)13-4-2-3-7-20-13/h2-9H,1H3,(H,21,22,23)
InChIKeyRVRNPCWEAKIOBP-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.86
Rot. Bonds3

About 7-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429704) has the molecular formula C18H12FN3O2S and a molecular weight of 353.38 g/mol. Its IUPAC name is 7-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429704
Molecular FormulaC18H12FN3O2S
Molecular Weight353.38 g/mol
Exact Mass353.06
IUPAC Name7-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(F)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12
InChIInChI=1S/C18H12FN3O2S/c1-24-14-6-5-10(19)8-11(14)12-9-25-16-15(12)21-17(22-18(16)23)13-4-2-3-7-20-13/h2-9H,1H3,(H,21,22,23)
InChIKeyRVRNPCWEAKIOBP-UHFFFAOYSA-N
XLogP3.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429704) is 7-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is COc1ccc(F)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.
What is the InChIKey of 7-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is RVRNPCWEAKIOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2S/c1-24-14-6-5-10(19)8-11(14)12-9-25-16-15(12)21-17(22-18(16)23)13-4-2-3-7-20-13/h2-9H,1H3,(H,21,22,23).
What are the key properties of 7-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 353.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).