7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one

C95H93BrN18O13S5 — CID 157289836

About 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one

7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 157289836) has the molecular formula C95H93BrN18O13S5 and a molecular weight of 1935.14 g/mol. Its IUPAC name is 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 157289836
• Molecular Formula: C95H93BrN18O13S5
• Molecular Weight: 1935.14 g/mol
• Exact Mass: 1932.50
• IUPAC Name: 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: CC(C)(C)c1sc2c(=O)[nH]c(-c3ccccn3)nc2c1Br.CC[C@H]1O[C@@H](c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[C@H](O)[C@@H]1O.Cc1ccc(C2CN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CCN2)cc1.Cc1ccc(COC[C@H]2O[C@@H](c3csc4c3NC(c3ccccn3)=NC4O)[C@H](O)[C@@H]2O)cc1.O=c1[nH]c(-c2ccccn2)nc2c(CC3CCNC3)csc12
• InChI: InChI=1S/C24H25N3O5S.C23H21N5O2S.C17H17N3O4S.C16H16N4OS.C15H14BrN3OS/c1-13-5-7-14(8-6-13)10-31-11-17-19(28)20(29)21(32-17)15-12-33-22-18(15)26-23(27-24(22)30)16-4-2-3-9-25-16;1-14-5-7-15(8-6-14)18-12-28(11-10-25-18)23(30)16-13-31-20-19(16)26-21(27-22(20)29)17-4-2-3-9-24-17;1-2-10-12(21)13(22)14(24-10)8-7-25-15-11(8)19-16(20-17(15)23)9-5-3-4-6-18-9;21-16-14-13(11(9-22-14)7-10-4-6-17-8-10)19-15(20-16)12-3-1-2-5-18-12;1-15(2,3)12-9(16)10-11(21-12)14(20)19-13(18-10)8-6-4-5-7-17-8/h2-9,12,17,19-21,24,28-30H,10-11H2,1H3,(H,26,27);2-9,13,18,25H,10-12H2,1H3,(H,26,27,29);3-7,10,12-14,21-22H,2H2,1H3,(H,19,20,23);1-3,5,9-10,17H,4,6-8H2,(H,19,20,21);4-7H,1-3H3,(H,18,19,20)/t17-,19-,20-,21+,24?;;10-,12-,13-,14+;;/m1.1../s1
• InChIKey: BARBOKWSNVXGCZ-IUAAOUOJSA-N
• XLogP: 13.76
• TPSA: 445.05 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 16
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1935.14
LogP ≤ 5	13.76
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 157289836) is 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)(C)c1sc2c(=O)[nH]c(-c3ccccn3)nc2c1Br.CC[C@H]1O[C@@H](c2csc3c(=O)[nH]c(-c4ccccn4)nc23)[C@H](O)[C@@H]1O.Cc1ccc(C2CN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CCN2)cc1.Cc1ccc(COC[C@H]2O[C@@H](c3csc4c3NC(c3ccccn3)=NC4O)[C@H](O)[C@@H]2O)cc1.O=c1[nH]c(-c2ccccn2)nc2c(CC3CCNC3)csc12.

What is the InChIKey of 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is BARBOKWSNVXGCZ-IUAAOUOJSA-N. The full InChI is InChI=1S/C24H25N3O5S.C23H21N5O2S.C17H17N3O4S.C16H16N4OS.C15H14BrN3OS/c1-13-5-7-14(8-6-13)10-31-11-17-19(28)20(29)21(32-17)15-12-33-22-18(15)26-23(27-24(22)30)16-4-2-3-9-25-16;1-14-5-7-15(8-6-14)18-12-28(11-10-25-18)23(30)16-13-31-20-19(16)26-21(27-22(20)29)17-4-2-3-9-24-17;1-2-10-12(21)13(22)14(24-10)8-7-25-15-11(8)19-16(20-17(15)23)9-5-3-4-6-18-9;21-16-14-13(11(9-22-14)7-10-4-6-17-8-10)19-15(20-16)12-3-1-2-5-18-12;1-15(2,3)12-9(16)10-11(21-12)14(20)19-13(18-10)8-6-4-5-7-17-8/h2-9,12,17,19-21,24,28-30H,10-11H2,1H3,(H,26,27);2-9,13,18,25H,10-12H2,1H3,(H,26,27,29);3-7,10,12-14,21-22H,2H2,1H3,(H,19,20,23);1-3,5,9-10,17H,4,6-8H2,(H,19,20,21);4-7H,1-3H3,(H,18,19,20)/t17-,19-,20-,21+,24?;;10-,12-,13-,14+;;/m1.1../s1.

What are the key properties of 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one?

7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1935.14 g/mol, XLogP of 13.76, 16 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-6-tert-butyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[(2S,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;(2S,3R,4S,5R)-2-(4-hydroxy-2-pyridin-2-yl-1,4-dihydrothieno[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)methoxymethyl]oxolane-3,4-diol;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(pyrrolidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 157289836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).