2-(furan-2-yl)-4,5-dimethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide

C26H22N4O3S — CID 46467311

About 2-(furan-2-yl)-4,5-dimethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide

2-(furan-2-yl)-4,5-dimethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46467311) has the molecular formula C26H22N4O3S and a molecular weight of 470.55 g/mol. Its IUPAC name is 2-(furan-2-yl)-4,5-dimethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-4,5-dimethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 46467311
• Molecular Formula: C26H22N4O3S
• Molecular Weight: 470.55 g/mol
• Exact Mass: 470.14
• IUPAC Name: 2-(furan-2-yl)-4,5-dimethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: Cc1nc(-c2ccco2)nc2sc(C(=O)NCc3cccc(OCc4ccccn4)c3)c(C)c12
• InChI: InChI=1S/C26H22N4O3S/c1-16-22-17(2)29-24(21-10-6-12-32-21)30-26(22)34-23(16)25(31)28-14-18-7-5-9-20(13-18)33-15-19-8-3-4-11-27-19/h3-13H,14-15H2,1-2H3,(H,28,31)
• InChIKey: CKJXIBRYDDINQX-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.55
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4,5-dimethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 2-(furan-2-yl)-4,5-dimethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 46467311) is 2-(furan-2-yl)-4,5-dimethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-(furan-2-yl)-4,5-dimethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 2-(furan-2-yl)-4,5-dimethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(-c2ccco2)nc2sc(C(=O)NCc3cccc(OCc4ccccn4)c3)c(C)c12.

What is the InChIKey of 2-(furan-2-yl)-4,5-dimethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is CKJXIBRYDDINQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3S/c1-16-22-17(2)29-24(21-10-6-12-32-21)30-26(22)34-23(16)25(31)28-14-18-7-5-9-20(13-18)33-15-19-8-3-4-11-27-19/h3-13H,14-15H2,1-2H3,(H,28,31).

What are the key properties of 2-(furan-2-yl)-4,5-dimethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide?

2-(furan-2-yl)-4,5-dimethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-4,5-dimethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46467311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).