7-cyclobutyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;methyl 6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxylate;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-4-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C93H82N20O8S6 — CID 162070687

About 7-cyclobutyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;methyl 6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxylate;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-4-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-cyclobutyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;methyl 6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxylate;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-4-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 162070687) has the molecular formula C93H82N20O8S6 and a molecular weight of 1800.21 g/mol. Its IUPAC name is 7-cyclobutyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;methyl 6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxylate;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-4-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-cyclobutyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;methyl 6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxylate;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-4-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 162070687
• Molecular Formula: C93H82N20O8S6
• Molecular Weight: 1800.21 g/mol
• Exact Mass: 1798.49
• IUPAC Name: 7-cyclobutyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;methyl 6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxylate;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-4-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: COC(=O)c1c(C)sc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1cc2nc(-c3ccccn3)[nH]c(=O)c2s1.Cc1ccccc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.O=c1[nH]c(-c2ccccn2)nc2c(C3CCC3)csc12.O=c1[nH]c(-c2ccccn2)nc2c(CC3CCCNC3)csc12.O=c1[nH]c(-c2ccccn2)nc2c(CC3CCNCC3)csc12
• InChI: InChI=1S/C18H13N3OS.2C17H18N4OS.C15H13N3OS.C14H11N3O3S.C12H9N3OS/c1-11-6-2-3-7-12(11)13-10-23-16-15(13)20-17(21-18(16)22)14-8-4-5-9-19-14;22-17-15-14(20-16(21-17)13-5-1-2-7-19-13)12(10-23-15)8-11-4-3-6-18-9-11;22-17-15-14(20-16(21-17)13-3-1-2-6-19-13)12(10-23-15)9-11-4-7-18-8-5-11;19-15-13-12(10(8-20-13)9-4-3-5-9)17-14(18-15)11-6-1-2-7-16-11;1-7-9(14(19)20-2)10-11(21-7)13(18)17-12(16-10)8-5-3-4-6-15-8;1-7-6-9-10(17-7)12(16)15-11(14-9)8-4-2-3-5-13-8/h2-10H,1H3,(H,20,21,22);1-2,5,7,10-11,18H,3-4,6,8-9H2,(H,20,21,22);1-3,6,10-11,18H,4-5,7-9H2,(H,20,21,22);1-2,6-9H,3-5H2,(H,17,18,19);3-6H,1-2H3,(H,16,17,18);2-6H,1H3,(H,14,15,16)
• InChIKey: ZBAPFJDWKMLFPG-UHFFFAOYSA-N
• XLogP: 17.01
• TPSA: 402.20 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 13
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1800.21
LogP ≤ 5	17.01
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;methyl 6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxylate;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-4-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-cyclobutyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;methyl 6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxylate;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-4-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 162070687) is 7-cyclobutyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;methyl 6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxylate;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-4-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-cyclobutyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;methyl 6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxylate;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-4-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-cyclobutyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;methyl 6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxylate;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-4-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is COC(=O)c1c(C)sc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1cc2nc(-c3ccccn3)[nH]c(=O)c2s1.Cc1ccccc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.O=c1[nH]c(-c2ccccn2)nc2c(C3CCC3)csc12.O=c1[nH]c(-c2ccccn2)nc2c(CC3CCCNC3)csc12.O=c1[nH]c(-c2ccccn2)nc2c(CC3CCNCC3)csc12.

What is the InChIKey of 7-cyclobutyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;methyl 6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxylate;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-4-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is ZBAPFJDWKMLFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS.2C17H18N4OS.C15H13N3OS.C14H11N3O3S.C12H9N3OS/c1-11-6-2-3-7-12(11)13-10-23-16-15(13)20-17(21-18(16)22)14-8-4-5-9-19-14;22-17-15-14(20-16(21-17)13-5-1-2-7-19-13)12(10-23-15)8-11-4-3-6-18-9-11;22-17-15-14(20-16(21-17)13-3-1-2-6-19-13)12(10-23-15)9-11-4-7-18-8-5-11;19-15-13-12(10(8-20-13)9-4-3-5-9)17-14(18-15)11-6-1-2-7-16-11;1-7-9(14(19)20-2)10-11(21-7)13(18)17-12(16-10)8-5-3-4-6-15-8;1-7-6-9-10(17-7)12(16)15-11(14-9)8-4-2-3-5-13-8/h2-10H,1H3,(H,20,21,22);1-2,5,7,10-11,18H,3-4,6,8-9H2,(H,20,21,22);1-3,6,10-11,18H,4-5,7-9H2,(H,20,21,22);1-2,6-9H,3-5H2,(H,17,18,19);3-6H,1-2H3,(H,16,17,18);2-6H,1H3,(H,14,15,16).

What are the key properties of 7-cyclobutyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;methyl 6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxylate;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-4-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?

7-cyclobutyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;methyl 6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxylate;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-4-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1800.21 g/mol, XLogP of 17.01, 13 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclobutyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;methyl 6-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxylate;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-3-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(piperidin-4-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 162070687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).