2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetamide

C110H102F3N25O17 — CID 162179780

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetamide

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetamide (PubChem CID 162179780) has the molecular formula C110H102F3N25O17 and a molecular weight of 2103.18 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetamide
• PubChem CID: 162179780
• Molecular Formula: C110H102F3N25O17
• Molecular Weight: 2103.18 g/mol
• Exact Mass: 2101.78
• IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetamide
• SMILES: COc1ccccc1-c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(-c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cc1.Cc1cccc(-c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)c1.Cc1ccccc1-c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)n(C)c1=O
• InChI: InChI=1S/C22H18F3N5O4.C22H21N5O4.3C22H21N5O3/c1-28-19-18(20(32)29(2)21(28)33)30(12-26-19)11-17(31)27-15-7-3-13(4-8-15)14-5-9-16(10-6-14)34-22(23,24)25;1-25-20-19(21(29)26(2)22(25)30)27(13-23-20)12-18(28)24-15-10-8-14(9-11-15)16-6-4-5-7-17(16)31-3;1-14-4-6-15(7-5-14)16-8-10-17(11-9-16)24-18(28)12-27-13-23-20-19(27)21(29)26(3)22(30)25(20)2;1-14-5-4-6-16(11-14)15-7-9-17(10-8-15)24-18(28)12-27-13-23-20-19(27)21(29)26(3)22(30)25(20)2;1-14-6-4-5-7-17(14)15-8-10-16(11-9-15)24-18(28)12-27-13-23-20-19(27)21(29)26(3)22(30)25(20)2/h3-10,12H,11H2,1-2H3,(H,27,31);4-11,13H,12H2,1-3H3,(H,24,28);3*4-11,13H,12H2,1-3H3,(H,24,28)
• InChIKey: ZOWDKUPEMIAVJU-UHFFFAOYSA-N
• XLogP: 10.53
• TPSA: 473.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2103.18
LogP ≤ 5	10.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetamide?

The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetamide (CID 162179780) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetamide.

What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetamide?

The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetamide is COc1ccccc1-c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cc1ccc(-c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cc1.Cc1cccc(-c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)c1.Cc1ccccc1-c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)n(C)c1=O.

What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetamide?

The InChIKey is ZOWDKUPEMIAVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O4.C22H21N5O4.3C22H21N5O3/c1-28-19-18(20(32)29(2)21(28)33)30(12-26-19)11-17(31)27-15-7-3-13(4-8-15)14-5-9-16(10-6-14)34-22(23,24)25;1-25-20-19(21(29)26(2)22(25)30)27(13-23-20)12-18(28)24-15-10-8-14(9-11-15)16-6-4-5-7-17(16)31-3;1-14-4-6-15(7-5-14)16-8-10-17(11-9-16)24-18(28)12-27-13-23-20-19(27)21(29)26(3)22(30)25(20)2;1-14-5-4-6-16(11-14)15-7-9-17(10-8-15)24-18(28)12-27-13-23-20-19(27)21(29)26(3)22(30)25(20)2;1-14-6-4-5-7-17(14)15-8-10-16(11-9-15)24-18(28)12-27-13-23-20-19(27)21(29)26(3)22(30)25(20)2/h3-10,12H,11H2,1-2H3,(H,27,31);4-11,13H,12H2,1-3H3,(H,24,28);3*4-11,13H,12H2,1-3H3,(H,24,28).

What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetamide?

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetamide has a molecular weight of 2103.18 g/mol, XLogP of 10.53, 22 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetamide is sourced from PubChem (CID 162179780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).