1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione

C112H127F3N18O18S3Si2 — CID 159374439

About 1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione

1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 159374439) has the molecular formula C112H127F3N18O18S3Si2 and a molecular weight of 2222.72 g/mol. Its IUPAC name is 1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 159374439
• Molecular Formula: C112H127F3N18O18S3Si2
• Molecular Weight: 2222.72 g/mol
• Exact Mass: 2220.82
• IUPAC Name: 1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
• SMILES: COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@]2(C)CCC(=O)N(C)C2)c(=O)c2c(C)c(-n3nccn3)sc21)OCCO.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@]2(C)CCC(=O)N(C)C2)c(=O)c2c(C)c(-n3nccn3)sc21)OCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@]2(C)CCC(=O)NC2)c(=O)c2c(C)c(-n3nccn3)sc21)OCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C43H49FN6O6SSi.C42H47FN6O6SSi.C27H31FN6O6S/c1-29-37-38(52)49(43(5)21-20-36(51)47(6)28-43)41(53)48(40(37)57-39(29)50-45-22-23-46-50)27-35(33-26-30(44)18-19-34(33)54-7)55-24-25-56-58(42(2,3)4,31-14-10-8-11-15-31)32-16-12-9-13-17-32;1-28-36-37(51)48(42(5)20-19-35(50)44-27-42)40(52)47(39(36)56-38(28)49-45-21-22-46-49)26-34(32-25-29(43)17-18-33(32)53-6)54-23-24-55-57(41(2,3)4,30-13-9-7-10-14-30)31-15-11-8-12-16-31;1-16-22-23(37)33(27(2)8-7-21(36)31(3)15-27)26(38)32(25(22)41-24(16)34-29-9-10-30-34)14-20(40-12-11-35)18-13-17(28)5-6-19(18)39-4/h8-19,22-23,26,35H,20-21,24-25,27-28H2,1-7H3;7-18,21-22,25,34H,19-20,23-24,26-27H2,1-6H3,(H,44,50);5-6,9-10,13,20,35H,7-8,11-12,14-15H2,1-4H3/t35-,43+;34-,42+;20-,27+/m000/s1
• InChIKey: LKDAPPKOLSJHBB-OXMPFMTJSA-N
• XLogP: 12.76
• TPSA: 387.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 35
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2222.72
LogP ≤ 5	12.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of 1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione (CID 159374439) is 1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione is COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@]2(C)CCC(=O)N(C)C2)c(=O)c2c(C)c(-n3nccn3)sc21)OCCO.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@]2(C)CCC(=O)N(C)C2)c(=O)c2c(C)c(-n3nccn3)sc21)OCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.COc1ccc(F)cc1[C@H](Cn1c(=O)n([C@]2(C)CCC(=O)NC2)c(=O)c2c(C)c(-n3nccn3)sc21)OCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of 1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?

The InChIKey is LKDAPPKOLSJHBB-OXMPFMTJSA-N. The full InChI is InChI=1S/C43H49FN6O6SSi.C42H47FN6O6SSi.C27H31FN6O6S/c1-29-37-38(52)49(43(5)21-20-36(51)47(6)28-43)41(53)48(40(37)57-39(29)50-45-22-23-46-50)27-35(33-26-30(44)18-19-34(33)54-7)55-24-25-56-58(42(2,3)4,31-14-10-8-11-15-31)32-16-12-9-13-17-32;1-28-36-37(51)48(42(5)20-19-35(50)44-27-42)40(52)47(39(36)56-38(28)49-45-21-22-46-49)26-34(32-25-29(43)17-18-33(32)53-6)54-23-24-55-57(41(2,3)4,30-13-9-7-10-14-30)31-15-11-8-12-16-31;1-16-22-23(37)33(27(2)8-7-21(36)31(3)15-27)26(38)32(25(22)41-24(16)34-29-9-10-30-34)14-20(40-12-11-35)18-13-17(28)5-6-19(18)39-4/h8-19,22-23,26,35H,20-21,24-25,27-28H2,1-7H3;7-18,21-22,25,34H,19-20,23-24,26-27H2,1-6H3,(H,44,50);5-6,9-10,13,20,35H,7-8,11-12,14-15H2,1-4H3/t35-,43+;34-,42+;20-,27+/m000/s1.

What are the key properties of 1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?

1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 2222.72 g/mol, XLogP of 12.76, 35 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-[(3R)-3-methyl-6-oxopiperidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-[(3R)-1,3-dimethyl-6-oxopiperidin-3-yl]-1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(2-hydroxyethoxy)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 159374439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).