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

C18H13N3O2S — CID 47007202

IUPAC5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3nc(-c4ccccn4)[nH]c(=O)c23)cc1
InChIInChI=1S/C18H13N3O2S/c1-23-12-7-5-11(6-8-12)13-10-24-18-15(13)17(22)20-16(21-18)14-4-2-3-9-19-14/h2-10H,1H3,(H,20,21,22)
InChIKeyHHZNURVAZDKNRX-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.72
Rot. Bonds3

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

5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 47007202) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID47007202
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3nc(-c4ccccn4)[nH]c(=O)c23)cc1
InChIInChI=1S/C18H13N3O2S/c1-23-12-7-5-11(6-8-12)13-10-24-18-15(13)17(22)20-16(21-18)14-4-2-3-9-19-14/h2-10H,1H3,(H,20,21,22)
InChIKeyHHZNURVAZDKNRX-UHFFFAOYSA-N
XLogP3.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 47007202) is 5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is COc1ccc(-c2csc3nc(-c4ccccn4)[nH]c(=O)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is HHZNURVAZDKNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-23-12-7-5-11(6-8-12)13-10-24-18-15(13)17(22)20-16(21-18)14-4-2-3-9-19-14/h2-10H,1H3,(H,20,21,22).
What are the key properties of 5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 335.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 47007202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).