7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one

C99H70ClF6N19O7S5 — CID 161488082

About 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one

7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 161488082) has the molecular formula C99H70ClF6N19O7S5 and a molecular weight of 1947.55 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 161488082
• Molecular Formula: C99H70ClF6N19O7S5
• Molecular Weight: 1947.55 g/mol
• Exact Mass: 1945.39
• IUPAC Name: 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: COCc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cc1C.COc1ccc(-c2c(-c3ccccc3)sc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.Cn1ccnc1-c1nc2c(-c3cccc(C(F)(F)F)c3)csc2c(=O)[nH]1.Cn1ccnc1-c1nc2c(-c3ccccc3Cl)c(-c3ccccc3)sc2c(=O)[nH]1.O=c1[nH]c(-c2ccccn2)nc2c(-c3cccc(C(F)(F)F)c3)csc12
• InChI: InChI=1S/C22H15ClN4OS.C22H17N5O2S.C20H17N3O2S.C18H10F3N3OS.C17H11F3N4OS/c1-27-12-11-24-21(27)20-25-17-16(14-9-5-6-10-15(14)23)18(13-7-3-2-4-8-13)29-19(17)22(28)26-20;1-27-11-10-23-21(27)20-25-17-16(14-8-9-15(29-2)24-12-14)18(13-6-4-3-5-7-13)30-19(17)22(28)26-20;1-12-9-13(6-7-14(12)10-25-2)15-11-26-18-17(15)22-19(23-20(18)24)16-5-3-4-8-21-16;19-18(20,21)11-5-3-4-10(8-11)12-9-26-15-14(12)23-16(24-17(15)25)13-6-1-2-7-22-13;1-24-6-5-21-15(24)14-22-12-11(8-26-13(12)16(25)23-14)9-3-2-4-10(7-9)17(18,19)20/h2-12H,1H3,(H,25,26,28);3-12H,1-2H3,(H,25,26,28);3-9,11H,10H2,1-2H3,(H,22,23,24);1-9H,(H,23,24,25);2-8H,1H3,(H,22,23,25)
• InChIKey: WFFSDIOXTZSYRS-UHFFFAOYSA-N
• XLogP: 22.47
• TPSA: 339.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1947.55
LogP ≤ 5	22.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 161488082) is 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one.

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

The canonical SMILES for 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one is COCc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cc1C.COc1ccc(-c2c(-c3ccccc3)sc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.Cn1ccnc1-c1nc2c(-c3cccc(C(F)(F)F)c3)csc2c(=O)[nH]1.Cn1ccnc1-c1nc2c(-c3ccccc3Cl)c(-c3ccccc3)sc2c(=O)[nH]1.O=c1[nH]c(-c2ccccn2)nc2c(-c3cccc(C(F)(F)F)c3)csc12.

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

The InChIKey is WFFSDIOXTZSYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4OS.C22H17N5O2S.C20H17N3O2S.C18H10F3N3OS.C17H11F3N4OS/c1-27-12-11-24-21(27)20-25-17-16(14-9-5-6-10-15(14)23)18(13-7-3-2-4-8-13)29-19(17)22(28)26-20;1-27-11-10-23-21(27)20-25-17-16(14-8-9-15(29-2)24-12-14)18(13-6-4-3-5-7-13)30-19(17)22(28)26-20;1-12-9-13(6-7-14(12)10-25-2)15-11-26-18-17(15)22-19(23-20(18)24)16-5-3-4-8-21-16;19-18(20,21)11-5-3-4-10(8-11)12-9-26-15-14(12)23-16(24-17(15)25)13-6-1-2-7-22-13;1-24-6-5-21-15(24)14-22-12-11(8-26-13(12)16(25)23-14)9-3-2-4-10(7-9)17(18,19)20/h2-12H,1H3,(H,25,26,28);3-12H,1-2H3,(H,25,26,28);3-9,11H,10H2,1-2H3,(H,22,23,24);1-9H,(H,23,24,25);2-8H,1H3,(H,22,23,25).

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

7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1947.55 g/mol, XLogP of 22.47, 15 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 161488082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).