5-amino-4-(1-benzofuran-2-yl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

C20H19N5O3S — CID 24769317

About 5-amino-4-(1-benzofuran-2-yl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-4-(1-benzofuran-2-yl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24769317) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 5-amino-4-(1-benzofuran-2-yl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-4-(1-benzofuran-2-yl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 24769317
• Molecular Formula: C20H19N5O3S
• Molecular Weight: 409.47 g/mol
• Exact Mass: 409.12
• IUPAC Name: 5-amino-4-(1-benzofuran-2-yl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: NC(=O)c1sc2nc(N3CCC(O)CC3)nc(-c3cc4ccccc4o3)c2c1N
• InChI: InChI=1S/C20H19N5O3S/c21-15-14-16(13-9-10-3-1-2-4-12(10)28-13)23-20(25-7-5-11(26)6-8-25)24-19(14)29-17(15)18(22)27/h1-4,9,11,26H,5-8,21H2,(H2,22,27)
• InChIKey: XBCQJSPEWVJNHX-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 131.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.47
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1-benzofuran-2-yl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 5-amino-4-(1-benzofuran-2-yl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 24769317) is 5-amino-4-(1-benzofuran-2-yl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-amino-4-(1-benzofuran-2-yl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 5-amino-4-(1-benzofuran-2-yl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is NC(=O)c1sc2nc(N3CCC(O)CC3)nc(-c3cc4ccccc4o3)c2c1N.

What is the InChIKey of 5-amino-4-(1-benzofuran-2-yl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is XBCQJSPEWVJNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c21-15-14-16(13-9-10-3-1-2-4-12(10)28-13)23-20(25-7-5-11(26)6-8-25)24-19(14)29-17(15)18(22)27/h1-4,9,11,26H,5-8,21H2,(H2,22,27).

What are the key properties of 5-amino-4-(1-benzofuran-2-yl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?

5-amino-4-(1-benzofuran-2-yl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-4-(1-benzofuran-2-yl)-2-(4-hydroxypiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24769317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).