N-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C14H11N3O5S — CID 155969947

About N-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 155969947) has the molecular formula C14H11N3O5S and a molecular weight of 333.33 g/mol. Its IUPAC name is N-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

• Compound Name: N-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
• PubChem CID: 155969947
• Molecular Formula: C14H11N3O5S
• Molecular Weight: 333.33 g/mol
• Exact Mass: 333.04
• IUPAC Name: N-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
• SMILES: Cc1cc(O)c(NC(=O)Cn2cnc3sccc3c2=O)c(=O)o1
• InChI: InChI=1S/C14H11N3O5S/c1-7-4-9(18)11(14(21)22-7)16-10(19)5-17-6-15-12-8(13(17)20)2-3-23-12/h2-4,6,18H,5H2,1H3,(H,16,19)
• InChIKey: GDKWNIFCFQUBIN-UHFFFAOYSA-N
• XLogP: 1.06
• TPSA: 114.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.33
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?

The IUPAC name of N-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 155969947) is N-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

What is the SMILES notation for N-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?

The canonical SMILES for N-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is Cc1cc(O)c(NC(=O)Cn2cnc3sccc3c2=O)c(=O)o1.

What is the InChIKey of N-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?

The InChIKey is GDKWNIFCFQUBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O5S/c1-7-4-9(18)11(14(21)22-7)16-10(19)5-17-6-15-12-8(13(17)20)2-3-23-12/h2-4,6,18H,5H2,1H3,(H,16,19).

What are the key properties of N-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?

N-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 333.33 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 155969947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).