3-(1-acetylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-(1-ethylsulfonylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methylsulfonylazetidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[1-(piperidine-1-carbonyl)azetidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione

C119H137N17O30S6 — CID 159059388

About 3-(1-acetylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-(1-ethylsulfonylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methylsulfonylazetidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[1-(piperidine-1-carbonyl)azetidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione

3-(1-acetylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-(1-ethylsulfonylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methylsulfonylazetidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[1-(piperidine-1-carbonyl)azetidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 159059388) has the molecular formula C119H137N17O30S6 and a molecular weight of 2477.90 g/mol. Its IUPAC name is 3-(1-acetylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-(1-ethylsulfonylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methylsulfonylazetidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[1-(piperidine-1-carbonyl)azetidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 3-(1-acetylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-(1-ethylsulfonylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methylsulfonylazetidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[1-(piperidine-1-carbonyl)azetidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 159059388
• Molecular Formula: C119H137N17O30S6
• Molecular Weight: 2477.90 g/mol
• Exact Mass: 2475.80
• IUPAC Name: 3-(1-acetylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-(1-ethylsulfonylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methylsulfonylazetidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[1-(piperidine-1-carbonyl)azetidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione
• SMILES: CCS(=O)(=O)N1CC(n2c(=O)c3c(C)c(-c4ncco4)sc3n(CC(OC3CCOCC3)c3ccccc3OC)c2=O)C1.COc1ccccc1C(Cn1c(=O)n(C2CN(C(=O)N3CCCCC3)C2)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1.COc1ccccc1C(Cn1c(=O)n(C2CN(C(C)=O)C2)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1.COc1ccccc1C(Cn1c(=O)n(C2CN(S(C)(=O)=O)C2)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1
• InChI: InChI=1S/C33H39N5O7S.C29H34N4O8S2.C29H32N4O7S.C28H32N4O8S2/c1-21-27-30(39)38(22-18-36(19-22)32(40)35-13-6-3-7-14-35)33(41)37(31(27)46-28(21)29-34-12-17-44-29)20-26(45-23-10-15-43-16-11-23)24-8-4-5-9-25(24)42-2;1-4-43(36,37)31-15-19(16-31)33-27(34)24-18(2)25(26-30-11-14-40-26)42-28(24)32(29(33)35)17-23(41-20-9-12-39-13-10-20)21-7-5-6-8-22(21)38-3;1-17-24-27(35)33(19-14-31(15-19)18(2)34)29(36)32(28(24)41-25(17)26-30-10-13-39-26)16-23(40-20-8-11-38-12-9-20)21-6-4-5-7-22(21)37-3;1-17-23-26(33)32(18-14-30(15-18)42(3,35)36)28(34)31(27(23)41-24(17)25-29-10-13-39-25)16-22(40-19-8-11-38-12-9-19)20-6-4-5-7-21(20)37-2/h4-5,8-9,12,17,22-23,26H,3,6-7,10-11,13-16,18-20H2,1-2H3;5-8,11,14,19-20,23H,4,9-10,12-13,15-17H2,1-3H3;4-7,10,13,19-20,23H,8-9,11-12,14-16H2,1-3H3;4-7,10,13,18-19,22H,8-9,11-12,14-16H2,1-3H3
• InChIKey: JYGOKKGWXUHBKB-UHFFFAOYSA-N
• XLogP: 14.42
• TPSA: 509.50 Ų
• H-Bond Acceptors: 46
• Rotatable Bonds: 35
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2477.90
LogP ≤ 5	14.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-(1-ethylsulfonylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methylsulfonylazetidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[1-(piperidine-1-carbonyl)azetidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of 3-(1-acetylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-(1-ethylsulfonylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methylsulfonylazetidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[1-(piperidine-1-carbonyl)azetidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione (CID 159059388) is 3-(1-acetylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-(1-ethylsulfonylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methylsulfonylazetidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[1-(piperidine-1-carbonyl)azetidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 3-(1-acetylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-(1-ethylsulfonylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methylsulfonylazetidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[1-(piperidine-1-carbonyl)azetidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 3-(1-acetylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-(1-ethylsulfonylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methylsulfonylazetidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[1-(piperidine-1-carbonyl)azetidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione is CCS(=O)(=O)N1CC(n2c(=O)c3c(C)c(-c4ncco4)sc3n(CC(OC3CCOCC3)c3ccccc3OC)c2=O)C1.COc1ccccc1C(Cn1c(=O)n(C2CN(C(=O)N3CCCCC3)C2)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1.COc1ccccc1C(Cn1c(=O)n(C2CN(C(C)=O)C2)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1.COc1ccccc1C(Cn1c(=O)n(C2CN(S(C)(=O)=O)C2)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1.

What is the InChIKey of 3-(1-acetylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-(1-ethylsulfonylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methylsulfonylazetidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[1-(piperidine-1-carbonyl)azetidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione?

The InChIKey is JYGOKKGWXUHBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O7S.C29H34N4O8S2.C29H32N4O7S.C28H32N4O8S2/c1-21-27-30(39)38(22-18-36(19-22)32(40)35-13-6-3-7-14-35)33(41)37(31(27)46-28(21)29-34-12-17-44-29)20-26(45-23-10-15-43-16-11-23)24-8-4-5-9-25(24)42-2;1-4-43(36,37)31-15-19(16-31)33-27(34)24-18(2)25(26-30-11-14-40-26)42-28(24)32(29(33)35)17-23(41-20-9-12-39-13-10-20)21-7-5-6-8-22(21)38-3;1-17-24-27(35)33(19-14-31(15-19)18(2)34)29(36)32(28(24)41-25(17)26-30-10-13-39-26)16-23(40-20-8-11-38-12-9-20)21-6-4-5-7-22(21)37-3;1-17-23-26(33)32(18-14-30(15-18)42(3,35)36)28(34)31(27(23)41-24(17)25-29-10-13-39-25)16-22(40-19-8-11-38-12-9-19)20-6-4-5-7-21(20)37-2/h4-5,8-9,12,17,22-23,26H,3,6-7,10-11,13-16,18-20H2,1-2H3;5-8,11,14,19-20,23H,4,9-10,12-13,15-17H2,1-3H3;4-7,10,13,19-20,23H,8-9,11-12,14-16H2,1-3H3;4-7,10,13,18-19,22H,8-9,11-12,14-16H2,1-3H3.

What are the key properties of 3-(1-acetylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-(1-ethylsulfonylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methylsulfonylazetidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[1-(piperidine-1-carbonyl)azetidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione?

3-(1-acetylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-(1-ethylsulfonylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methylsulfonylazetidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[1-(piperidine-1-carbonyl)azetidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 2477.90 g/mol, XLogP of 14.42, 35 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-acetylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-(1-ethylsulfonylazetidin-3-yl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methylsulfonylazetidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-[1-(piperidine-1-carbonyl)azetidin-3-yl]thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 159059388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).