1-[(2R)-2-(2,3-dihydroxypropoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;methane;2-[(1R)-1-(2-methoxyphenyl)-2-[5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]ethoxy]acetaldehyde;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione

C114H134N16O27S4 — CID 157271886

About 1-[(2R)-2-(2,3-dihydroxypropoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;methane;2-[(1R)-1-(2-methoxyphenyl)-2-[5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]ethoxy]acetaldehyde;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione

1-[(2R)-2-(2,3-dihydroxypropoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;methane;2-[(1R)-1-(2-methoxyphenyl)-2-[5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]ethoxy]acetaldehyde;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 157271886) has the molecular formula C114H134N16O27S4 and a molecular weight of 2288.68 g/mol. Its IUPAC name is 1-[(2R)-2-(2,3-dihydroxypropoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;methane;2-[(1R)-1-(2-methoxyphenyl)-2-[5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]ethoxy]acetaldehyde;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R)-2-(2,3-dihydroxypropoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;methane;2-[(1R)-1-(2-methoxyphenyl)-2-[5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]ethoxy]acetaldehyde;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 157271886
• Molecular Formula: C114H134N16O27S4
• Molecular Weight: 2288.68 g/mol
• Exact Mass: 2286.85
• IUPAC Name: 1-[(2R)-2-(2,3-dihydroxypropoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;methane;2-[(1R)-1-(2-methoxyphenyl)-2-[5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]ethoxy]acetaldehyde;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione
• SMILES: C.C.C.C.C=CCO[C@@H](Cn1c(=O)n(C2CCCN(C)C2=O)c(=O)c2c(C)c(-c3ncco3)sc21)c1ccccc1OC.C=CCO[C@@H](Cn1c(=O)n(C2CCCNC2=O)c(=O)c2c(C)c(-c3ncco3)sc21)c1ccccc1OC.COc1ccccc1[C@H](Cn1c(=O)n(C2CCCN(C)C2=O)c(=O)c2c(C)c(-c3ncco3)sc21)OCC(O)CO.COc1ccccc1[C@H](Cn1c(=O)n(C2CCCN(C)C2=O)c(=O)c2c(C)c(-c3ncco3)sc21)OCC=O
• InChI: InChI=1S/C28H32N4O8S.C28H30N4O6S.C27H28N4O7S.C27H28N4O6S.4CH4/c1-16-22-26(36)32(19-8-6-11-30(2)25(19)35)28(37)31(27(22)41-23(16)24-29-10-12-39-24)13-21(40-15-17(34)14-33)18-7-4-5-9-20(18)38-3;1-5-14-37-21(18-9-6-7-11-20(18)36-4)16-31-27-22(17(2)23(39-27)24-29-12-15-38-24)26(34)32(28(31)35)19-10-8-13-30(3)25(19)33;1-16-21-25(34)31(18-8-6-11-29(2)24(18)33)27(35)30(26(21)39-22(16)23-28-10-13-38-23)15-20(37-14-12-32)17-7-4-5-9-19(17)36-3;1-4-13-36-20(17-8-5-6-10-19(17)35-3)15-30-26-21(16(2)22(38-26)24-29-12-14-37-24)25(33)31(27(30)34)18-9-7-11-28-23(18)32;;;;/h4-5,7,9-10,12,17,19,21,33-34H,6,8,11,13-15H2,1-3H3;5-7,9,11-12,15,19,21H,1,8,10,13-14,16H2,2-4H3;4-5,7,9-10,12-13,18,20H,6,8,11,14-15H2,1-3H3;4-6,8,10,12,14,18,20H,1,7,9,11,13,15H2,2-3H3,(H,28,32);4*1H4/t17?,19?,21-;19?,21-;2*18?,20-;;;;/m0000..../s1
• InChIKey: AYQFGDVHRCQKDG-AYQTWHNSSA-N
• XLogP: 15.12
• TPSA: 501.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 43
• Rotatable Bonds: 37
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2288.68
LogP ≤ 5	15.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2,3-dihydroxypropoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;methane;2-[(1R)-1-(2-methoxyphenyl)-2-[5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]ethoxy]acetaldehyde;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of 1-[(2R)-2-(2,3-dihydroxypropoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;methane;2-[(1R)-1-(2-methoxyphenyl)-2-[5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]ethoxy]acetaldehyde;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione (CID 157271886) is 1-[(2R)-2-(2,3-dihydroxypropoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;methane;2-[(1R)-1-(2-methoxyphenyl)-2-[5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]ethoxy]acetaldehyde;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R)-2-(2,3-dihydroxypropoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;methane;2-[(1R)-1-(2-methoxyphenyl)-2-[5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]ethoxy]acetaldehyde;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R)-2-(2,3-dihydroxypropoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;methane;2-[(1R)-1-(2-methoxyphenyl)-2-[5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]ethoxy]acetaldehyde;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione is C.C.C.C.C=CCO[C@@H](Cn1c(=O)n(C2CCCN(C)C2=O)c(=O)c2c(C)c(-c3ncco3)sc21)c1ccccc1OC.C=CCO[C@@H](Cn1c(=O)n(C2CCCNC2=O)c(=O)c2c(C)c(-c3ncco3)sc21)c1ccccc1OC.COc1ccccc1[C@H](Cn1c(=O)n(C2CCCN(C)C2=O)c(=O)c2c(C)c(-c3ncco3)sc21)OCC(O)CO.COc1ccccc1[C@H](Cn1c(=O)n(C2CCCN(C)C2=O)c(=O)c2c(C)c(-c3ncco3)sc21)OCC=O.

What is the InChIKey of 1-[(2R)-2-(2,3-dihydroxypropoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;methane;2-[(1R)-1-(2-methoxyphenyl)-2-[5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]ethoxy]acetaldehyde;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione?

The InChIKey is AYQFGDVHRCQKDG-AYQTWHNSSA-N. The full InChI is InChI=1S/C28H32N4O8S.C28H30N4O6S.C27H28N4O7S.C27H28N4O6S.4CH4/c1-16-22-26(36)32(19-8-6-11-30(2)25(19)35)28(37)31(27(22)41-23(16)24-29-10-12-39-24)13-21(40-15-17(34)14-33)18-7-4-5-9-20(18)38-3;1-5-14-37-21(18-9-6-7-11-20(18)36-4)16-31-27-22(17(2)23(39-27)24-29-12-15-38-24)26(34)32(28(31)35)19-10-8-13-30(3)25(19)33;1-16-21-25(34)31(18-8-6-11-29(2)24(18)33)27(35)30(26(21)39-22(16)23-28-10-13-38-23)15-20(37-14-12-32)17-7-4-5-9-19(17)36-3;1-4-13-36-20(17-8-5-6-10-19(17)35-3)15-30-26-21(16(2)22(38-26)24-29-12-14-37-24)25(33)31(27(30)34)18-9-7-11-28-23(18)32;;;;/h4-5,7,9-10,12,17,19,21,33-34H,6,8,11,13-15H2,1-3H3;5-7,9,11-12,15,19,21H,1,8,10,13-14,16H2,2-4H3;4-5,7,9-10,12-13,18,20H,6,8,11,14-15H2,1-3H3;4-6,8,10,12,14,18,20H,1,7,9,11,13,15H2,2-3H3,(H,28,32);4*1H4/t17?,19?,21-;19?,21-;2*18?,20-;;;;/m0000..../s1.

What are the key properties of 1-[(2R)-2-(2,3-dihydroxypropoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;methane;2-[(1R)-1-(2-methoxyphenyl)-2-[5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]ethoxy]acetaldehyde;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione?

1-[(2R)-2-(2,3-dihydroxypropoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;methane;2-[(1R)-1-(2-methoxyphenyl)-2-[5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]ethoxy]acetaldehyde;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 2288.68 g/mol, XLogP of 15.12, 37 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-(2,3-dihydroxypropoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;methane;2-[(1R)-1-(2-methoxyphenyl)-2-[5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]ethoxy]acetaldehyde;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-3-(1-methyl-2-oxopiperidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[(2R)-2-(2-methoxyphenyl)-2-prop-2-enoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(2-oxopiperidin-3-yl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 157271886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).