5-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

C19H21N3O2S — CID 46017904

IUPAC5-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-c2csc3nc(CN4CCCCC4)[nH]c(=O)c23)c1
InChIInChI=1S/C19H21N3O2S/c1-24-14-7-5-6-13(10-14)15-12-25-19-17(15)18(23)20-16(21-19)11-22-8-3-2-4-9-22/h5-7,10,12H,2-4,8-9,11H2,1H3,(H,20,21,23)
InChIKeyVPIDBLCATDTKBU-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.65
Rot. Bonds4

About 5-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

5-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 46017904) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID46017904
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name5-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-c2csc3nc(CN4CCCCC4)[nH]c(=O)c23)c1
InChIInChI=1S/C19H21N3O2S/c1-24-14-7-5-6-13(10-14)15-12-25-19-17(15)18(23)20-16(21-19)11-22-8-3-2-4-9-22/h5-7,10,12H,2-4,8-9,11H2,1H3,(H,20,21,23)
InChIKeyVPIDBLCATDTKBU-UHFFFAOYSA-N
XLogP3.65
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 46017904) is 5-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one is COc1cccc(-c2csc3nc(CN4CCCCC4)[nH]c(=O)c23)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is VPIDBLCATDTKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-24-14-7-5-6-13(10-14)15-12-25-19-17(15)18(23)20-16(21-19)11-22-8-3-2-4-9-22/h5-7,10,12H,2-4,8-9,11H2,1H3,(H,20,21,23).
What are the key properties of 5-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
5-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 355.46 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 46017904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).