[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium

C22H24N3O2S+ — CID 8784654

About [5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium

[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium (PubChem CID 8784654) has the molecular formula C22H24N3O2S+ and a molecular weight of 394.52 g/mol. Its IUPAC name is [5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium.

Molecular Properties

• Compound Name: [5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium
• PubChem CID: 8784654
• Molecular Formula: C22H24N3O2S+
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.16
• IUPAC Name: [5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium
• SMILES: CC(C)c1ccc(C[NH+](C)Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)cc1
• InChI: InChI=1S/C22H23N3O2S/c1-14(2)16-8-6-15(7-9-16)11-25(3)12-19-23-21(26)20-17(13-28-22(20)24-19)18-5-4-10-27-18/h4-10,13-14H,11-12H2,1-3H3,(H,23,24,26)/p+1
• InChIKey: WFIRVCONNKBTIO-UHFFFAOYSA-O
• XLogP: 3.58
• TPSA: 63.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium?

The IUPAC name of [5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium (CID 8784654) is [5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium.

What is the SMILES notation for [5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium?

The canonical SMILES for [5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium is CC(C)c1ccc(C[NH+](C)Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)cc1.

What is the InChIKey of [5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium?

The InChIKey is WFIRVCONNKBTIO-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H23N3O2S/c1-14(2)16-8-6-15(7-9-16)11-25(3)12-19-23-21(26)20-17(13-28-22(20)24-19)18-5-4-10-27-18/h4-10,13-14H,11-12H2,1-3H3,(H,23,24,26)/p+1.

What are the key properties of [5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium?

[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium has a molecular weight of 394.52 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium is sourced from PubChem (CID 8784654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).