2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide

C16H16N4O2S — CID 4047421

IUPAC2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1sc2ncn(CC(=O)NCc3ccccn3)c(=O)c2c1C
InChIInChI=1S/C16H16N4O2S/c1-10-11(2)23-15-14(10)16(22)20(9-19-15)8-13(21)18-7-12-5-3-4-6-17-12/h3-6,9H,7-8H2,1-2H3,(H,18,21)
InChIKeyKYJKUTNFZXBJAJ-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.79
Rot. Bonds4

About 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 4047421) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID4047421
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1sc2ncn(CC(=O)NCc3ccccn3)c(=O)c2c1C
InChIInChI=1S/C16H16N4O2S/c1-10-11(2)23-15-14(10)16(22)20(9-19-15)8-13(21)18-7-12-5-3-4-6-17-12/h3-6,9H,7-8H2,1-2H3,(H,18,21)
InChIKeyKYJKUTNFZXBJAJ-UHFFFAOYSA-N
XLogP1.79
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide 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 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 4047421) is 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide is Cc1sc2ncn(CC(=O)NCc3ccccn3)c(=O)c2c1C.
What is the InChIKey of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is KYJKUTNFZXBJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-10-11(2)23-15-14(10)16(22)20(9-19-15)8-13(21)18-7-12-5-3-4-6-17-12/h3-6,9H,7-8H2,1-2H3,(H,18,21).
What are the key properties of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 328.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 4047421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).