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

C90H78N20O6S5 — CID 159821616

About 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[4-(2-methylpropoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-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-[4-(2-methylpropoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 159821616) has the molecular formula C90H78N20O6S5 and a molecular weight of 1696.08 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[4-(2-methylpropoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[4-(2-methylpropoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 159821616
• Molecular Formula: C90H78N20O6S5
• Molecular Weight: 1696.08 g/mol
• Exact Mass: 1694.50
• IUPAC Name: 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[4-(2-methylpropoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: CC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)cc1.Cc1cccc(-c2c(C)sc3c(=O)[nH]c(-c4nccn4C)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4ccncn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)c1.Cc1ccccc1-c1c(C)sc2c(=O)[nH]c(-c3nccn3C)nc12
• InChI: InChI=1S/C20H20N4O2S.2C18H16N4OS.C17H14N4OS.C17H12N4OS/c1-12(2)10-26-14-6-4-13(5-7-14)15-11-27-17-16(15)22-18(23-20(17)25)19-21-8-9-24(19)3;1-10-5-4-6-12(9-10)13-11(2)24-15-14(13)20-16(21-18(15)23)17-19-7-8-22(17)3;1-10-6-4-5-7-12(10)13-11(2)24-15-14(13)20-16(21-18(15)23)17-19-8-9-22(17)3;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;1-10-3-2-4-11(7-10)12-8-23-15-14(12)20-16(21-17(15)22)13-5-6-18-9-19-13/h4-9,11-12H,10H2,1-3H3,(H,22,23,25);2*4-9H,1-3H3,(H,20,21,23);3-9H,1-2H3,(H,19,20,22);2-9H,1H3,(H,20,21,22)
• InChIKey: NMHRPFHWBBATJQ-UHFFFAOYSA-N
• XLogP: 18.20
• TPSA: 335.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 13
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1696.08
LogP ≤ 5	18.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[4-(2-methylpropoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 159821616) is 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[4-(2-methylpropoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one.

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

The canonical SMILES for 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[4-(2-methylpropoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)COc1ccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)cc1.Cc1cccc(-c2c(C)sc3c(=O)[nH]c(-c4nccn4C)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4ccncn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)c1.Cc1ccccc1-c1c(C)sc2c(=O)[nH]c(-c3nccn3C)nc12.

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

The InChIKey is NMHRPFHWBBATJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S.2C18H16N4OS.C17H14N4OS.C17H12N4OS/c1-12(2)10-26-14-6-4-13(5-7-14)15-11-27-17-16(15)22-18(23-20(17)25)19-21-8-9-24(19)3;1-10-5-4-6-12(9-10)13-11(2)24-15-14(13)20-16(21-18(15)23)17-19-7-8-22(17)3;1-10-6-4-5-7-12(10)13-11(2)24-15-14(13)20-16(21-18(15)23)17-19-8-9-22(17)3;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;1-10-3-2-4-11(7-10)12-8-23-15-14(12)20-16(21-17(15)22)13-5-6-18-9-19-13/h4-9,11-12H,10H2,1-3H3,(H,22,23,25);2*4-9H,1-3H3,(H,20,21,23);3-9H,1-2H3,(H,19,20,22);2-9H,1H3,(H,20,21,22).

What are the key properties of 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[4-(2-methylpropoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-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-[4-(2-methylpropoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1696.08 g/mol, XLogP of 18.20, 13 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[4-(2-methylpropoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 159821616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).