6-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C18H13N3O2S — CID 136573938

IUPAC6-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3nc(-c4ccccn4)[nH]c(=O)c3s2)cc1
InChIInChI=1S/C18H13N3O2S/c1-23-12-7-5-11(6-8-12)15-10-14-16(24-15)18(22)21-17(20-14)13-4-2-3-9-19-13/h2-10H,1H3,(H,20,21,22)
InChIKeyMWKQTTUUNZSAPA-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.72
Rot. Bonds3

About 6-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

6-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136573938) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136573938
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name6-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3nc(-c4ccccn4)[nH]c(=O)c3s2)cc1
InChIInChI=1S/C18H13N3O2S/c1-23-12-7-5-11(6-8-12)15-10-14-16(24-15)18(22)21-17(20-14)13-4-2-3-9-19-13/h2-10H,1H3,(H,20,21,22)
InChIKeyMWKQTTUUNZSAPA-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 6-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 136573938) is 6-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is COc1ccc(-c2cc3nc(-c4ccccn4)[nH]c(=O)c3s2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is MWKQTTUUNZSAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-23-12-7-5-11(6-8-12)15-10-14-16(24-15)18(22)21-17(20-14)13-4-2-3-9-19-13/h2-10H,1H3,(H,20,21,22).
What are the key properties of 6-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
6-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-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 6-(4-methoxyphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136573938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).