N-(3-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,6-diethylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylbutan-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylbutan-2-yl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methylbutanoate

C105H129N31O21S — CID 158204410

About N-(3-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,6-diethylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylbutan-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylbutan-2-yl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methylbutanoate

N-(3-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,6-diethylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylbutan-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylbutan-2-yl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methylbutanoate (PubChem CID 158204410) has the molecular formula C105H129N31O21S and a molecular weight of 2193.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,6-diethylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylbutan-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylbutan-2-yl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methylbutanoate.

Molecular Properties

• Compound Name: N-(3-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,6-diethylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylbutan-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylbutan-2-yl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methylbutanoate
• PubChem CID: 158204410
• Molecular Formula: C105H129N31O21S
• Molecular Weight: 2193.45 g/mol
• Exact Mass: 2191.97
• IUPAC Name: N-(3-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,6-diethylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylbutan-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylbutan-2-yl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methylbutanoate
• SMILES: C.CC(=O)c1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1.CC(CCc1ccccc1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.CCC(C)(C)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.CCc1cccc(CC)c1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.CCc1sc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1-c1ccccc1.COC(=O)C(NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)C
• InChI: InChI=1S/C20H20N6O3S.2C19H23N5O3.C17H17N5O4.C15H21N5O5.C14H21N5O3.CH4/c1-4-13-15(12-8-6-5-7-9-12)23-19(30-13)22-14(27)10-26-11-21-17-16(26)18(28)25(3)20(29)24(17)2;1-13(9-10-14-7-5-4-6-8-14)21-15(25)11-24-12-20-17-16(24)18(26)23(3)19(27)22(17)2;1-5-12-8-7-9-13(6-2)15(12)21-14(25)10-24-11-20-17-16(24)18(26)23(4)19(27)22(17)3;1-10(23)11-5-4-6-12(7-11)19-13(24)8-22-9-18-15-14(22)16(25)21(3)17(26)20(15)2;1-8(2)10(14(23)25-5)17-9(21)6-20-7-16-12-11(20)13(22)19(4)15(24)18(12)3;1-6-14(2,3)16-9(20)7-19-8-15-11-10(19)12(21)18(5)13(22)17(11)4;/h5-9,11H,4,10H2,1-3H3,(H,22,23,27);4-8,12-13H,9-11H2,1-3H3,(H,21,25);7-9,11H,5-6,10H2,1-4H3,(H,21,25);4-7,9H,8H2,1-3H3,(H,19,24);7-8,10H,6H2,1-5H3,(H,17,21);8H,6-7H2,1-5H3,(H,16,20);1H4
• InChIKey: GBIAJQSHHBFVLJ-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 601.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 47
• Rotatable Bonds: 29
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2193.45
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,6-diethylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylbutan-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylbutan-2-yl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methylbutanoate?

The IUPAC name of N-(3-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,6-diethylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylbutan-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylbutan-2-yl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methylbutanoate (CID 158204410) is N-(3-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,6-diethylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylbutan-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylbutan-2-yl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methylbutanoate.

What is the SMILES notation for N-(3-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,6-diethylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylbutan-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylbutan-2-yl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methylbutanoate?

The canonical SMILES for N-(3-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,6-diethylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylbutan-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylbutan-2-yl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methylbutanoate is C.CC(=O)c1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1.CC(CCc1ccccc1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.CCC(C)(C)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.CCc1cccc(CC)c1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.CCc1sc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1-c1ccccc1.COC(=O)C(NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)C.

What is the InChIKey of N-(3-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,6-diethylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylbutan-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylbutan-2-yl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methylbutanoate?

The InChIKey is GBIAJQSHHBFVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3S.2C19H23N5O3.C17H17N5O4.C15H21N5O5.C14H21N5O3.CH4/c1-4-13-15(12-8-6-5-7-9-12)23-19(30-13)22-14(27)10-26-11-21-17-16(26)18(28)25(3)20(29)24(17)2;1-13(9-10-14-7-5-4-6-8-14)21-15(25)11-24-12-20-17-16(24)18(26)23(3)19(27)22(17)2;1-5-12-8-7-9-13(6-2)15(12)21-14(25)10-24-11-20-17-16(24)18(26)23(4)19(27)22(17)3;1-10(23)11-5-4-6-12(7-11)19-13(24)8-22-9-18-15-14(22)16(25)21(3)17(26)20(15)2;1-8(2)10(14(23)25-5)17-9(21)6-20-7-16-12-11(20)13(22)19(4)15(24)18(12)3;1-6-14(2,3)16-9(20)7-19-8-15-11-10(19)12(21)18(5)13(22)17(11)4;/h5-9,11H,4,10H2,1-3H3,(H,22,23,27);4-8,12-13H,9-11H2,1-3H3,(H,21,25);7-9,11H,5-6,10H2,1-4H3,(H,21,25);4-7,9H,8H2,1-3H3,(H,19,24);7-8,10H,6H2,1-5H3,(H,17,21);8H,6-7H2,1-5H3,(H,16,20);1H4.

What are the key properties of N-(3-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,6-diethylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylbutan-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylbutan-2-yl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methylbutanoate?

N-(3-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,6-diethylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylbutan-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylbutan-2-yl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methylbutanoate has a molecular weight of 2193.45 g/mol, XLogP of 2.92, 29 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,6-diethylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylbutan-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylbutan-2-yl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-methylbutanoate is sourced from PubChem (CID 158204410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).