5-(4-methylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one

C20H21N3O2S — CID 1078320

IUPAC5-(4-methylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3ncn(CC(=O)N4CCCCC4)c(=O)c23)cc1
InChIInChI=1S/C20H21N3O2S/c1-14-5-7-15(8-6-14)16-12-26-19-18(16)20(25)23(13-21-19)11-17(24)22-9-3-2-4-10-22/h5-8,12-13H,2-4,9-11H2,1H3
InChIKeyGLDIXYQWTJNSSY-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.45
Rot. Bonds3

About 5-(4-methylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one

5-(4-methylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 1078320) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID1078320
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name5-(4-methylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3ncn(CC(=O)N4CCCCC4)c(=O)c23)cc1
InChIInChI=1S/C20H21N3O2S/c1-14-5-7-15(8-6-14)16-12-26-19-18(16)20(25)23(13-21-19)11-17(24)22-9-3-2-4-10-22/h5-8,12-13H,2-4,9-11H2,1H3
InChIKeyGLDIXYQWTJNSSY-UHFFFAOYSA-N
XLogP3.45
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-methylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one (CID 1078320) is 5-(4-methylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-methylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-methylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one is Cc1ccc(-c2csc3ncn(CC(=O)N4CCCCC4)c(=O)c23)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is GLDIXYQWTJNSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-5-7-15(8-6-14)16-12-26-19-18(16)20(25)23(13-21-19)11-17(24)22-9-3-2-4-10-22/h5-8,12-13H,2-4,9-11H2,1H3.
What are the key properties of 5-(4-methylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one?
5-(4-methylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 367.47 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 1078320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).