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

C₁₀₄H₈₅N₂₅O₇S₆ — CID 160863800

About 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-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;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-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 160863800) has the molecular formula C₁₀₄H₈₅N₂₅O₇S₆ and a molecular weight of 1989.39 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-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;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-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: 160863800
• Molecular Formula: C₁₀₄H₈₅N₂₅O₇S₆
• Molecular Weight: 1989.39 g/mol
• Exact Mass: 1987.54
• IUPAC Name: 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-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(-c4cn(C)cn4)nc23)cn1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4ccncn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4cn(C)cn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4cn(C)cn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4ncccn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)c1
• InChI: InChI=1S/C19H19N5O2S.3C17H14N4OS.2C17H12N4OS/c1-11(2)8-26-15-5-4-12(6-20-15)13-9-27-17-16(13)22-18(23-19(17)25)14-7-24(3)10-21-14;2*1-10-4-3-5-11(6-10)12-8-23-15-14(12)19-16(20-17(15)22)13-7-21(2)9-18-13;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;1-10-4-2-5-11(8-10)12-9-23-14-13(12)20-16(21-17(14)22)15-18-6-3-7-19-15;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/h4-7,9-11H,8H2,1-3H3,(H,22,23,25);3*3-9H,1-2H3,(H,19,20,22);2*2-9H,1H3,(H,20,21,22)
• InChIKey: SKVLHEFLNZEJSU-UHFFFAOYSA-N
• XLogP: 20.40
• TPSA: 419.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 15
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1989.39
LogP ≤ 5	20.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

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;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-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;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 160863800) is 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-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;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-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;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-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(-c4cn(C)cn4)nc23)cn1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4ccncn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4cn(C)cn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4cn(C)cn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4ncccn4)nc23)c1.Cc1cccc(-c2csc3c(=O)[nH]c(-c4nccn4C)nc23)c1.

What is the InChIKey of 2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-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 SKVLHEFLNZEJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S.3C17H14N4OS.2C17H12N4OS/c1-11(2)8-26-15-5-4-12(6-20-15)13-9-27-17-16(13)22-18(23-19(17)25)14-7-24(3)10-21-14;2*1-10-4-3-5-11(6-10)12-8-23-15-14(12)19-16(20-17(15)22)13-7-21(2)9-18-13;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;1-10-4-2-5-11(8-10)12-9-23-14-13(12)20-16(21-17(14)22)15-18-6-3-7-19-15;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/h4-7,9-11H,8H2,1-3H3,(H,22,23,25);3*3-9H,1-2H3,(H,19,20,22);2*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;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-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;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-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 1989.39 g/mol, XLogP of 20.40, 15 rotatable bonds, 6 hydrogen bond donors, and 32 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;bis(2-(1-methylimidazol-4-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-4-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-2-yl-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 160863800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160863800 — identifiers, structure, computed properties (public domain)

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