7-(4-fluoro-2-methylphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(6-methyl-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one

C83H66FN21O5S5 — CID 161444031

About 7-(4-fluoro-2-methylphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(6-methyl-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one

7-(4-fluoro-2-methylphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(6-methyl-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 161444031) has the molecular formula C83H66FN21O5S5 and a molecular weight of 1616.92 g/mol. Its IUPAC name is 7-(4-fluoro-2-methylphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(6-methyl-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-(4-fluoro-2-methylphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(6-methyl-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 161444031
• Molecular Formula: C83H66FN21O5S5
• Molecular Weight: 1616.92 g/mol
• Exact Mass: 1615.41
• IUPAC Name: 7-(4-fluoro-2-methylphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(6-methyl-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: Cc1cc(F)ccc1-c1csc2c(=O)[nH]c(-c3nccn3C)nc12.Cc1ccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)c1.Cc1ccccc1-c1csc2c(=O)[nH]c(-c3nccn3C)nc12.Cn1ccnc1-c1nc2c(-c3ccccc3)csc2c(=O)[nH]1
• InChI: InChI=1S/C17H13FN4OS.2C17H14N4OS.C16H13N5OS.C16H12N4OS/c1-9-7-10(18)3-4-11(9)12-8-24-14-13(12)20-15(21-17(14)23)16-19-5-6-22(16)2;1-10-4-3-5-11(8-10)12-9-23-14-13(12)19-15(20-17(14)22)16-18-6-7-21(16)2;1-10-5-3-4-6-11(10)12-9-23-14-13(12)19-15(20-17(14)22)16-18-7-8-21(16)2;1-9-3-4-10(7-18-9)11-8-23-13-12(11)19-14(20-16(13)22)15-17-5-6-21(15)2;1-20-8-7-17-15(20)14-18-12-11(10-5-3-2-4-6-10)9-22-13(12)16(21)19-14/h3-8H,1-2H3,(H,20,21,23);2*3-9H,1-2H3,(H,19,20,22);3-8H,1-2H3,(H,19,20,22);2-9H,1H3,(H,18,19,21)
• InChIKey: VZQRMFQKBRUIOG-UHFFFAOYSA-N
• XLogP: 16.03
• TPSA: 330.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 10
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1616.92
LogP ≤ 5	16.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-2-methylphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(6-methyl-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-(4-fluoro-2-methylphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(6-methyl-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one (CID 161444031) is 7-(4-fluoro-2-methylphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(6-methyl-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-(4-fluoro-2-methylphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(6-methyl-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-(4-fluoro-2-methylphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(6-methyl-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one is Cc1cc(F)ccc1-c1csc2c(=O)[nH]c(-c3nccn3C)nc12.Cc1ccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)c1.Cc1ccccc1-c1csc2c(=O)[nH]c(-c3nccn3C)nc12.Cn1ccnc1-c1nc2c(-c3ccccc3)csc2c(=O)[nH]1.

What is the InChIKey of 7-(4-fluoro-2-methylphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(6-methyl-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is VZQRMFQKBRUIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4OS.2C17H14N4OS.C16H13N5OS.C16H12N4OS/c1-9-7-10(18)3-4-11(9)12-8-24-14-13(12)20-15(21-17(14)23)16-19-5-6-22(16)2;1-10-4-3-5-11(8-10)12-9-23-14-13(12)19-15(20-17(14)22)16-18-6-7-21(16)2;1-10-5-3-4-6-11(10)12-9-23-14-13(12)19-15(20-17(14)22)16-18-7-8-21(16)2;1-9-3-4-10(7-18-9)11-8-23-13-12(11)19-14(20-16(13)22)15-17-5-6-21(15)2;1-20-8-7-17-15(20)14-18-12-11(10-5-3-2-4-6-10)9-22-13(12)16(21)19-14/h3-8H,1-2H3,(H,20,21,23);2*3-9H,1-2H3,(H,19,20,22);3-8H,1-2H3,(H,19,20,22);2-9H,1H3,(H,18,19,21).

What are the key properties of 7-(4-fluoro-2-methylphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(6-methyl-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?

7-(4-fluoro-2-methylphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(6-methyl-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1616.92 g/mol, XLogP of 16.03, 10 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-fluoro-2-methylphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(6-methyl-3-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-phenyl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 161444031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).