2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(furan-2-ylmethyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-3-ylacetamide;ethyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate

C114H135FN38O26 — CID 159510266

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(furan-2-ylmethyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-3-ylacetamide;ethyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(furan-2-ylmethyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-3-ylacetamide;ethyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate (PubChem CID 159510266) has the molecular formula C114H135FN38O26 and a molecular weight of 2472.57 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(furan-2-ylmethyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-3-ylacetamide;ethyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate.

Molecular Properties

• Compound Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(furan-2-ylmethyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-3-ylacetamide;ethyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate
• PubChem CID: 159510266
• Molecular Formula: C114H135FN38O26
• Molecular Weight: 2472.57 g/mol
• Exact Mass: 2471.04
• IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(furan-2-ylmethyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-3-ylacetamide;ethyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate
• SMILES: C.C.C.C.C.C.CCOC(=O)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.COC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(F)c1.Cc1ccnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1.Cn1c(=O)c2c(ncn2CC(=O)NCc2ccco2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2cccnc2)n(C)c1=O
• InChI: InChI=1S/C18H19N5O5.C17H17N5O5.C16H16FN5O3.C15H16N6O3.2C14H14N6O3.C14H15N5O4.6CH4/c1-4-28-17(26)11-5-7-12(8-6-11)20-13(24)9-23-10-19-15-14(23)16(25)22(3)18(27)21(15)2;1-20-14-13(15(24)21(2)17(20)26)22(9-18-14)8-12(23)19-11-7-5-4-6-10(11)16(25)27-3;1-9-4-5-11(10(17)6-9)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2;1-9-4-5-16-10(6-9)18-11(22)7-21-8-17-13-12(21)14(23)20(3)15(24)19(13)2;1-18-12-11(13(22)19(2)14(18)23)20(8-16-12)7-10(21)17-9-4-3-5-15-6-9;1-18-12-11(13(22)19(2)14(18)23)20(8-16-12)7-10(21)17-9-5-3-4-6-15-9;1-17-12-11(13(21)18(2)14(17)22)19(8-16-12)7-10(20)15-6-9-4-3-5-23-9;;;;;;/h5-8,10H,4,9H2,1-3H3,(H,20,24);4-7,9H,8H2,1-3H3,(H,19,23);4-6,8H,7H2,1-3H3,(H,19,23);4-6,8H,7H2,1-3H3,(H,16,18,22);3-6,8H,7H2,1-2H3,(H,17,21);3-6,8H,7H2,1-2H3,(H,15,17,21);3-5,8H,6-7H2,1-2H3,(H,15,20);6*1H4
• InChIKey: MAMUVCRGHXUMQU-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 740.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 57
• Rotatable Bonds: 25
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2472.57
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	57

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(furan-2-ylmethyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-3-ylacetamide;ethyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate?

The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(furan-2-ylmethyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-3-ylacetamide;ethyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate (CID 159510266) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(furan-2-ylmethyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-3-ylacetamide;ethyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate.

What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(furan-2-ylmethyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-3-ylacetamide;ethyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate?

The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(furan-2-ylmethyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-3-ylacetamide;ethyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate is C.C.C.C.C.C.CCOC(=O)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.COC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(F)c1.Cc1ccnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1.Cn1c(=O)c2c(ncn2CC(=O)NCc2ccco2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2cccnc2)n(C)c1=O.

What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(furan-2-ylmethyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-3-ylacetamide;ethyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate?

The InChIKey is MAMUVCRGHXUMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5.C17H17N5O5.C16H16FN5O3.C15H16N6O3.2C14H14N6O3.C14H15N5O4.6CH4/c1-4-28-17(26)11-5-7-12(8-6-11)20-13(24)9-23-10-19-15-14(23)16(25)22(3)18(27)21(15)2;1-20-14-13(15(24)21(2)17(20)26)22(9-18-14)8-12(23)19-11-7-5-4-6-10(11)16(25)27-3;1-9-4-5-11(10(17)6-9)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2;1-9-4-5-16-10(6-9)18-11(22)7-21-8-17-13-12(21)14(23)20(3)15(24)19(13)2;1-18-12-11(13(22)19(2)14(18)23)20(8-16-12)7-10(21)17-9-4-3-5-15-6-9;1-18-12-11(13(22)19(2)14(18)23)20(8-16-12)7-10(21)17-9-5-3-4-6-15-9;1-17-12-11(13(21)18(2)14(17)22)19(8-16-12)7-10(20)15-6-9-4-3-5-23-9;;;;;;/h5-8,10H,4,9H2,1-3H3,(H,20,24);4-7,9H,8H2,1-3H3,(H,19,23);4-6,8H,7H2,1-3H3,(H,19,23);4-6,8H,7H2,1-3H3,(H,16,18,22);3-6,8H,7H2,1-2H3,(H,17,21);3-6,8H,7H2,1-2H3,(H,15,17,21);3-5,8H,6-7H2,1-2H3,(H,15,20);6*1H4.

What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(furan-2-ylmethyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-3-ylacetamide;ethyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate?

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(furan-2-ylmethyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-3-ylacetamide;ethyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate has a molecular weight of 2472.57 g/mol, XLogP of 2.50, 25 rotatable bonds, 7 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(furan-2-ylmethyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-3-ylacetamide;ethyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate is sourced from PubChem (CID 159510266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).