4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione

C122H118N30O18S6 — CID 160706741

About 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione

4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione (PubChem CID 160706741) has the molecular formula C122H118N30O18S6 and a molecular weight of 2484.88 g/mol. Its IUPAC name is 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione.

Molecular Properties

• Compound Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione
• PubChem CID: 160706741
• Molecular Formula: C122H118N30O18S6
• Molecular Weight: 2484.88 g/mol
• Exact Mass: 2482.76
• IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione
• SMILES: Cc1nc(-c2ccc(CC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cs1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3nccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3nccs3)cc2)n(C)c1=O
• InChI: InChI=1S/2C21H21N5O3S.C21H20N4O3S.C20H20N6O3S.C20H19N5O3S.C19H17N5O3S/c1-13-23-17(11-30-13)15-6-4-14(5-7-15)10-16(27)8-9-26-12-22-19-18(26)20(28)25(3)21(29)24(19)2;1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)11-3-6-17(27)23-15-9-7-14(8-10-15)16-5-4-12-30-16;1-23-19-18(20(27)24(2)21(23)28)25(13-22-19)10-9-16(26)12-14-5-7-15(8-6-14)17-4-3-11-29-17;1-24-17-16(19(28)25(2)20(24)29)26(12-22-17)10-3-4-15(27)23-14-7-5-13(6-8-14)18-21-9-11-30-18;1-23-17-16(19(27)24(2)20(23)28)25(12-22-17)9-7-15(26)11-13-3-5-14(6-4-13)18-21-8-10-29-18;1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)10-15(25)21-13-7-5-12(6-8-13)14-4-3-9-28-14/h4-7,11-12H,8-10H2,1-3H3;4-5,7-10,12-13H,3,6,11H2,1-2H3,(H,23,27);3-8,11,13H,9-10,12H2,1-2H3;5-9,11-12H,3-4,10H2,1-2H3,(H,23,27);3-6,8,10,12H,7,9,11H2,1-2H3;3-9,11H,10H2,1-2H3,(H,21,25)
• InChIKey: RRIBDSOJUCPUDR-UHFFFAOYSA-N
• XLogP: 12.55
• TPSA: 548.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 51
• Rotatable Bonds: 34
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2484.88
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione?

The IUPAC name of 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione (CID 160706741) is 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione.

What is the SMILES notation for 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione?

The canonical SMILES for 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione is Cc1nc(-c2ccc(CC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cs1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3nccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3nccs3)cc2)n(C)c1=O.

What is the InChIKey of 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione?

The InChIKey is RRIBDSOJUCPUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21N5O3S.C21H20N4O3S.C20H20N6O3S.C20H19N5O3S.C19H17N5O3S/c1-13-23-17(11-30-13)15-6-4-14(5-7-15)10-16(27)8-9-26-12-22-19-18(26)20(28)25(3)21(29)24(19)2;1-24-19-18(20(28)25(2)21(24)29)26(13-22-19)11-3-6-17(27)23-15-9-7-14(8-10-15)16-5-4-12-30-16;1-23-19-18(20(27)24(2)21(23)28)25(13-22-19)10-9-16(26)12-14-5-7-15(8-6-14)17-4-3-11-29-17;1-24-17-16(19(28)25(2)20(24)29)26(12-22-17)10-3-4-15(27)23-14-7-5-13(6-8-14)18-21-9-11-30-18;1-23-17-16(19(27)24(2)20(23)28)25(12-22-17)9-7-15(26)11-13-3-5-14(6-4-13)18-21-8-10-29-18;1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)10-15(25)21-13-7-5-12(6-8-13)14-4-3-9-28-14/h4-7,11-12H,8-10H2,1-3H3;4-5,7-10,12-13H,3,6,11H2,1-2H3,(H,23,27);3-8,11,13H,9-10,12H2,1-2H3;5-9,11-12H,3-4,10H2,1-2H3,(H,23,27);3-6,8,10,12H,7,9,11H2,1-2H3;3-9,11H,10H2,1-2H3,(H,21,25).

What are the key properties of 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione?

4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione has a molecular weight of 2484.88 g/mol, XLogP of 12.55, 34 rotatable bonds, 3 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)butanamide;1,3-dimethyl-7-[4-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione is sourced from PubChem (CID 160706741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).