7-(2-chlorophenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyrimidin-4-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one

C88H65ClF9N21O7S5 — CID 161269075

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

7-(2-chlorophenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyrimidin-4-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 161269075) has the molecular formula C88H65ClF9N21O7S5 and a molecular weight of 1895.40 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyrimidin-4-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-(2-chlorophenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyrimidin-4-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 161269075
• Molecular Formula: C88H65ClF9N21O7S5
• Molecular Weight: 1895.40 g/mol
• Exact Mass: 1893.35
• IUPAC Name: 7-(2-chlorophenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyrimidin-4-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: CC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.Cc1sc2c(=O)[nH]c(-c3nccn3C)nc2c1-c1cccc(C(F)(F)F)c1.Cc1sc2c(=O)[nH]c(-c3nccn3C)nc2c1-c1ccccc1Cl.Cn1ccnc1-c1nc2c(-c3cccc(OC(F)(F)F)c3)csc2c(=O)[nH]1.O=c1[nH]c(-c2ccncn2)nc2c(-c3cccc(C(F)(F)F)c3)csc12
• InChI: InChI=1S/C19H19N5O2S.C18H13F3N4OS.C17H13ClN4OS.C17H11F3N4O2S.C17H9F3N4OS/c1-11(2)9-26-14-5-4-12(8-21-14)13-10-27-16-15(13)22-17(23-19(16)25)18-20-6-7-24(18)3;1-9-12(10-4-3-5-11(8-10)18(19,20)21)13-14(27-9)17(26)24-15(23-13)16-22-6-7-25(16)2;1-9-12(10-5-3-4-6-11(10)18)13-14(24-9)17(23)21-15(20-13)16-19-7-8-22(16)2;1-24-6-5-21-15(24)14-22-12-11(8-27-13(12)16(25)23-14)9-3-2-4-10(7-9)26-17(18,19)20;18-17(19,20)10-3-1-2-9(6-10)11-7-26-14-13(11)23-15(24-16(14)25)12-4-5-21-8-22-12/h4-8,10-11H,9H2,1-3H3,(H,22,23,25);3-8H,1-2H3,(H,23,24,26);3-8H,1-2H3,(H,20,21,23);2-8H,1H3,(H,22,23,25);1-8H,(H,23,24,25)
• InChIKey: VDOMCFBOLTWCAK-UHFFFAOYSA-N
• XLogP: 19.95
• TPSA: 357.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1895.40
LogP ≤ 5	19.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

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

The IUPAC name of 7-(2-chlorophenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyrimidin-4-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 161269075) is 7-(2-chlorophenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyrimidin-4-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one.

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

The canonical SMILES for 7-(2-chlorophenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyrimidin-4-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.Cc1sc2c(=O)[nH]c(-c3nccn3C)nc2c1-c1cccc(C(F)(F)F)c1.Cc1sc2c(=O)[nH]c(-c3nccn3C)nc2c1-c1ccccc1Cl.Cn1ccnc1-c1nc2c(-c3cccc(OC(F)(F)F)c3)csc2c(=O)[nH]1.O=c1[nH]c(-c2ccncn2)nc2c(-c3cccc(C(F)(F)F)c3)csc12.

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

The InChIKey is VDOMCFBOLTWCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S.C18H13F3N4OS.C17H13ClN4OS.C17H11F3N4O2S.C17H9F3N4OS/c1-11(2)9-26-14-5-4-12(8-21-14)13-10-27-16-15(13)22-17(23-19(16)25)18-20-6-7-24(18)3;1-9-12(10-4-3-5-11(8-10)18(19,20)21)13-14(27-9)17(26)24-15(23-13)16-22-6-7-25(16)2;1-9-12(10-5-3-4-6-11(10)18)13-14(24-9)17(23)21-15(20-13)16-19-7-8-22(16)2;1-24-6-5-21-15(24)14-22-12-11(8-27-13(12)16(25)23-14)9-3-2-4-10(7-9)26-17(18,19)20;18-17(19,20)10-3-1-2-9(6-10)11-7-26-14-13(11)23-15(24-16(14)25)12-4-5-21-8-22-12/h4-8,10-11H,9H2,1-3H3,(H,22,23,25);3-8H,1-2H3,(H,23,24,26);3-8H,1-2H3,(H,20,21,23);2-8H,1H3,(H,22,23,25);1-8H,(H,23,24,25).

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

7-(2-chlorophenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyrimidin-4-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1895.40 g/mol, XLogP of 19.95, 14 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-chlorophenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyrimidin-4-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 161269075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).