2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(4-fluorophenyl)-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylpyrazin-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenyl-3-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide;methyl 4-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]benzoate

C118H105FN36O21S — CID 157243851

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(4-fluorophenyl)-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylpyrazin-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenyl-3-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide;methyl 4-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]benzoate

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(4-fluorophenyl)-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylpyrazin-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenyl-3-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide;methyl 4-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]benzoate (PubChem CID 157243851) has the molecular formula C118H105FN36O21S and a molecular weight of 2414.43 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(4-fluorophenyl)-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylpyrazin-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenyl-3-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide;methyl 4-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]benzoate.

Molecular Properties

• Compound Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(4-fluorophenyl)-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylpyrazin-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenyl-3-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide;methyl 4-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]benzoate
• PubChem CID: 157243851
• Molecular Formula: C118H105FN36O21S
• Molecular Weight: 2414.43 g/mol
• Exact Mass: 2412.80
• IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(4-fluorophenyl)-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylpyrazin-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenyl-3-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide;methyl 4-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]benzoate
• SMILES: COC(=O)c1ccc(-c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cc1.Cn1c(=O)c2c(ncn2CC(=O)Nc2cc(-c3ccccc3)no2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccc(F)cc3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)nc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3nccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2cnc(-c3ccccc3)cn2)n(C)c1=O
• InChI: InChI=1S/C23H21N5O5.C20H17FN6O3.C20H18N6O3.C19H17N7O3.C18H16N6O4.C18H16N6O3S/c1-26-20-19(21(30)27(2)23(26)32)28(13-24-20)12-18(29)25-17-10-8-15(9-11-17)14-4-6-16(7-5-14)22(31)33-3;1-25-18-17(19(29)26(2)20(25)30)27(11-23-18)10-16(28)24-15-8-5-13(9-22-15)12-3-6-14(21)7-4-12;1-24-18-17(19(28)25(2)20(24)29)26(12-22-18)11-16(27)23-14-8-9-15(21-10-14)13-6-4-3-5-7-13;1-24-17-16(18(28)25(2)19(24)29)26(11-22-17)10-15(27)23-14-9-20-13(8-21-14)12-6-4-3-5-7-12;1-22-16-15(17(26)23(2)18(22)27)24(10-19-16)9-13(25)20-14-8-12(21-28-14)11-6-4-3-5-7-11;1-22-15-14(17(26)23(2)18(22)27)24(10-20-15)9-13(25)21-12-5-3-11(4-6-12)16-19-7-8-28-16/h4-11,13H,12H2,1-3H3,(H,25,29);3-9,11H,10H2,1-2H3,(H,22,24,28);3-10,12H,11H2,1-2H3,(H,23,27);3-9,11H,10H2,1-2H3,(H,21,23,27);3-8,10H,9H2,1-2H3,(H,20,25);3-8,10H,9H2,1-2H3,(H,21,25)
• InChIKey: AVNGRELWZNRMHP-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 662.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 52
• Rotatable Bonds: 25
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2414.43
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(4-fluorophenyl)-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylpyrazin-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenyl-3-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide;methyl 4-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]benzoate?

The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(4-fluorophenyl)-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylpyrazin-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenyl-3-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide;methyl 4-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]benzoate (CID 157243851) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(4-fluorophenyl)-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylpyrazin-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenyl-3-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide;methyl 4-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]benzoate.

What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(4-fluorophenyl)-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylpyrazin-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenyl-3-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide;methyl 4-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]benzoate?

The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(4-fluorophenyl)-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylpyrazin-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenyl-3-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide;methyl 4-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]benzoate is COC(=O)c1ccc(-c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cc1.Cn1c(=O)c2c(ncn2CC(=O)Nc2cc(-c3ccccc3)no2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccc(F)cc3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccccc3)nc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3nccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2cnc(-c3ccccc3)cn2)n(C)c1=O.

What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(4-fluorophenyl)-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylpyrazin-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenyl-3-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide;methyl 4-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]benzoate?

The InChIKey is AVNGRELWZNRMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O5.C20H17FN6O3.C20H18N6O3.C19H17N7O3.C18H16N6O4.C18H16N6O3S/c1-26-20-19(21(30)27(2)23(26)32)28(13-24-20)12-18(29)25-17-10-8-15(9-11-17)14-4-6-16(7-5-14)22(31)33-3;1-25-18-17(19(29)26(2)20(25)30)27(11-23-18)10-16(28)24-15-8-5-13(9-22-15)12-3-6-14(21)7-4-12;1-24-18-17(19(28)25(2)20(24)29)26(12-22-18)11-16(27)23-14-8-9-15(21-10-14)13-6-4-3-5-7-13;1-24-17-16(18(28)25(2)19(24)29)26(11-22-17)10-15(27)23-14-9-20-13(8-21-14)12-6-4-3-5-7-12;1-22-16-15(17(26)23(2)18(22)27)24(10-19-16)9-13(25)20-14-8-12(21-28-14)11-6-4-3-5-7-11;1-22-15-14(17(26)23(2)18(22)27)24(10-20-15)9-13(25)21-12-5-3-11(4-6-12)16-19-7-8-28-16/h4-11,13H,12H2,1-3H3,(H,25,29);3-9,11H,10H2,1-2H3,(H,22,24,28);3-10,12H,11H2,1-2H3,(H,23,27);3-9,11H,10H2,1-2H3,(H,21,23,27);3-8,10H,9H2,1-2H3,(H,20,25);3-8,10H,9H2,1-2H3,(H,21,25).

What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(4-fluorophenyl)-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylpyrazin-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenyl-3-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide;methyl 4-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]benzoate?

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(4-fluorophenyl)-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylpyrazin-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenyl-3-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide;methyl 4-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]benzoate has a molecular weight of 2414.43 g/mol, XLogP of 6.39, 25 rotatable bonds, 6 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(4-fluorophenyl)-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenylpyrazin-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenyl-3-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide;methyl 4-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]benzoate is sourced from PubChem (CID 157243851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).