7-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)-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

C103H86FN25O6S6 — CID 161078346

About 7-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)-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

7-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)-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 161078346) has the molecular formula C103H86FN25O6S6 and a molecular weight of 1981.39 g/mol. Its IUPAC name is 7-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)-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.

Molecular Properties

• Compound Name: 7-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)-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: 161078346
• Molecular Formula: C103H86FN25O6S6
• Molecular Weight: 1981.39 g/mol
• Exact Mass: 1979.55
• IUPAC Name: 7-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)-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
• 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(-c3ccc(C(C)(C)C)cc3)csc2c(=O)[nH]1.Cn1ccnc1-c1nc2c(-c3ccccc3)csc2c(=O)[nH]1
• InChI: InChI=1S/C20H20N4OS.C17H13FN4OS.2C17H14N4OS.C16H13N5OS.C16H12N4OS/c1-20(2,3)13-7-5-12(6-8-13)14-11-26-16-15(14)22-17(23-19(16)25)18-21-9-10-24(18)4;1-9-7-10(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/h5-11H,1-4H3,(H,22,23,25);3-8H,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: UFORPSVNGWLWQH-UHFFFAOYSA-N
• XLogP: 20.38
• TPSA: 394.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 12
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1981.39
LogP ≤ 5	20.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)-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?

The IUPAC name of 7-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)-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 (CID 161078346) is 7-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)-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.

What is the SMILES notation for 7-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)-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?

The canonical SMILES for 7-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)-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 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(-c3ccc(C(C)(C)C)cc3)csc2c(=O)[nH]1.Cn1ccnc1-c1nc2c(-c3ccccc3)csc2c(=O)[nH]1.

What is the InChIKey of 7-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)-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?

The InChIKey is UFORPSVNGWLWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS.C17H13FN4OS.2C17H14N4OS.C16H13N5OS.C16H12N4OS/c1-20(2,3)13-7-5-12(6-8-13)14-11-26-16-15(14)22-17(23-19(16)25)18-21-9-10-24(18)4;1-9-7-10(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/h5-11H,1-4H3,(H,22,23,25);3-8H,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-tert-butylphenyl)-2-(1-methylimidazol-2-yl)-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?

7-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)-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 1981.39 g/mol, XLogP of 20.38, 12 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)-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 is sourced from PubChem (CID 161078346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).