2-amino-6-[3-[1-(1H-imidazol-2-ylmethylamino)ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-amino-6-[3-[1-[(6-oxo-1H-pyridin-2-yl)methylamino]ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6,7-diphenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-4-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C118H87BrN24O7S6 — CID 158730494

About 2-amino-6-[3-[1-(1H-imidazol-2-ylmethylamino)ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-amino-6-[3-[1-[(6-oxo-1H-pyridin-2-yl)methylamino]ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6,7-diphenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-4-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

2-amino-6-[3-[1-(1H-imidazol-2-ylmethylamino)ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-amino-6-[3-[1-[(6-oxo-1H-pyridin-2-yl)methylamino]ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6,7-diphenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-4-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 158730494) has the molecular formula C118H87BrN24O7S6 and a molecular weight of 2225.46 g/mol. Its IUPAC name is 2-amino-6-[3-[1-(1H-imidazol-2-ylmethylamino)ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-amino-6-[3-[1-[(6-oxo-1H-pyridin-2-yl)methylamino]ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6,7-diphenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-4-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-amino-6-[3-[1-(1H-imidazol-2-ylmethylamino)ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-amino-6-[3-[1-[(6-oxo-1H-pyridin-2-yl)methylamino]ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6,7-diphenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-4-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 158730494
• Molecular Formula: C118H87BrN24O7S6
• Molecular Weight: 2225.46 g/mol
• Exact Mass: 2222.47
• IUPAC Name: 2-amino-6-[3-[1-(1H-imidazol-2-ylmethylamino)ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-amino-6-[3-[1-[(6-oxo-1H-pyridin-2-yl)methylamino]ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6,7-diphenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-4-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: C=C(NCc1cccc(=O)[nH]1)c1cccc(-c2cc3nc(N)[nH]c(=O)c3s2)c1.C=C(NCc1ncc[nH]1)c1cccc(-c2cc3nc(N)[nH]c(=O)c3s2)c1.Cc1ccc(-c2cc3nc(-c4ccccn4)[nH]c(=O)c3s2)cc1.Cn1cnc(-c2nc3c(-c4ccccc4)c(-c4ccccc4)sc3c(=O)[nH]2)c1.O=c1[nH]c(-c2ccccn2)nc2c(-c3ccccc3)c(-c3ccccc3)sc12.O=c1[nH]c(-c2ccccn2)nc2c(Br)c(-c3ccccc3)sc12
• InChI: InChI=1S/C23H15N3OS.C22H16N4OS.C20H17N5O2S.C18H16N6OS.C18H13N3OS.C17H10BrN3OS/c27-23-21-19(25-22(26-23)17-13-7-8-14-24-17)18(15-9-3-1-4-10-15)20(28-21)16-11-5-2-6-12-16;1-26-12-16(23-13-26)21-24-18-17(14-8-4-2-5-9-14)19(15-10-6-3-7-11-15)28-20(18)22(27)25-21;1-11(22-10-14-6-3-7-17(26)23-14)12-4-2-5-13(8-12)16-9-15-18(28-16)19(27)25-20(21)24-15;1-10(22-9-15-20-5-6-21-15)11-3-2-4-12(7-11)14-8-13-16(26-14)17(25)24-18(19)23-13;1-11-5-7-12(8-6-11)15-10-14-16(23-15)18(22)21-17(20-14)13-4-2-3-9-19-13;18-12-13-15(23-14(12)10-6-2-1-3-7-10)17(22)21-16(20-13)11-8-4-5-9-19-11/h1-14H,(H,25,26,27);2-13H,1H3,(H,24,25,27);2-9,22H,1,10H2,(H,23,26)(H3,21,24,25,27);2-8,22H,1,9H2,(H,20,21)(H3,19,23,24,25);2-10H,1H3,(H,20,21,22);1-9H,(H,20,21,22)
• InChIKey: ILAPVEPISRHXQI-UHFFFAOYSA-N
• XLogP: 24.00
• TPSA: 468.63 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2225.46
LogP ≤ 5	24.00
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-[1-(1H-imidazol-2-ylmethylamino)ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-amino-6-[3-[1-[(6-oxo-1H-pyridin-2-yl)methylamino]ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6,7-diphenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-4-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 2-amino-6-[3-[1-(1H-imidazol-2-ylmethylamino)ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-amino-6-[3-[1-[(6-oxo-1H-pyridin-2-yl)methylamino]ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6,7-diphenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-4-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 158730494) is 2-amino-6-[3-[1-(1H-imidazol-2-ylmethylamino)ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-amino-6-[3-[1-[(6-oxo-1H-pyridin-2-yl)methylamino]ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6,7-diphenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-4-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 2-amino-6-[3-[1-(1H-imidazol-2-ylmethylamino)ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-amino-6-[3-[1-[(6-oxo-1H-pyridin-2-yl)methylamino]ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6,7-diphenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-4-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 2-amino-6-[3-[1-(1H-imidazol-2-ylmethylamino)ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-amino-6-[3-[1-[(6-oxo-1H-pyridin-2-yl)methylamino]ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6,7-diphenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-4-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is C=C(NCc1cccc(=O)[nH]1)c1cccc(-c2cc3nc(N)[nH]c(=O)c3s2)c1.C=C(NCc1ncc[nH]1)c1cccc(-c2cc3nc(N)[nH]c(=O)c3s2)c1.Cc1ccc(-c2cc3nc(-c4ccccn4)[nH]c(=O)c3s2)cc1.Cn1cnc(-c2nc3c(-c4ccccc4)c(-c4ccccc4)sc3c(=O)[nH]2)c1.O=c1[nH]c(-c2ccccn2)nc2c(-c3ccccc3)c(-c3ccccc3)sc12.O=c1[nH]c(-c2ccccn2)nc2c(Br)c(-c3ccccc3)sc12.

What is the InChIKey of 2-amino-6-[3-[1-(1H-imidazol-2-ylmethylamino)ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-amino-6-[3-[1-[(6-oxo-1H-pyridin-2-yl)methylamino]ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6,7-diphenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-4-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is ILAPVEPISRHXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3OS.C22H16N4OS.C20H17N5O2S.C18H16N6OS.C18H13N3OS.C17H10BrN3OS/c27-23-21-19(25-22(26-23)17-13-7-8-14-24-17)18(15-9-3-1-4-10-15)20(28-21)16-11-5-2-6-12-16;1-26-12-16(23-13-26)21-24-18-17(14-8-4-2-5-9-14)19(15-10-6-3-7-11-15)28-20(18)22(27)25-21;1-11(22-10-14-6-3-7-17(26)23-14)12-4-2-5-13(8-12)16-9-15-18(28-16)19(27)25-20(21)24-15;1-10(22-9-15-20-5-6-21-15)11-3-2-4-12(7-11)14-8-13-16(26-14)17(25)24-18(19)23-13;1-11-5-7-12(8-6-11)15-10-14-16(23-15)18(22)21-17(20-14)13-4-2-3-9-19-13;18-12-13-15(23-14(12)10-6-2-1-3-7-10)17(22)21-16(20-13)11-8-4-5-9-19-11/h1-14H,(H,25,26,27);2-13H,1H3,(H,24,25,27);2-9,22H,1,10H2,(H,23,26)(H3,21,24,25,27);2-8,22H,1,9H2,(H,20,21)(H3,19,23,24,25);2-10H,1H3,(H,20,21,22);1-9H,(H,20,21,22).

What are the key properties of 2-amino-6-[3-[1-(1H-imidazol-2-ylmethylamino)ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-amino-6-[3-[1-[(6-oxo-1H-pyridin-2-yl)methylamino]ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6,7-diphenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-4-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

2-amino-6-[3-[1-(1H-imidazol-2-ylmethylamino)ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-amino-6-[3-[1-[(6-oxo-1H-pyridin-2-yl)methylamino]ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6,7-diphenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-4-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 2225.46 g/mol, XLogP of 24.00, 20 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-[3-[1-(1H-imidazol-2-ylmethylamino)ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-amino-6-[3-[1-[(6-oxo-1H-pyridin-2-yl)methylamino]ethenyl]phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-bromo-6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6,7-diphenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-4-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 158730494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).