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

C98H90N30O16S2 — CID 158312752

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

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]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 (PubChem CID 158312752) has the molecular formula C98H90N30O16S2 and a molecular weight of 2008.13 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]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.

Molecular Properties

• Compound Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]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
• PubChem CID: 158312752
• Molecular Formula: C98H90N30O16S2
• Molecular Weight: 2008.13 g/mol
• Exact Mass: 2006.66
• IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]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
• SMILES: COc1cccc(-c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)c1.Cc1nc(-c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cs1.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/C22H21N5O4.C20H18N6O3.C19H17N7O3.C19H18N6O3S.C18H16N6O3S/c1-25-20-19(21(29)26(2)22(25)30)27(13-23-20)12-18(28)24-16-9-7-14(8-10-16)15-5-4-6-17(11-15)31-3;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;1-11-21-14(9-29-11)12-4-6-13(7-5-12)22-15(26)8-25-10-20-17-16(25)18(27)24(3)19(28)23(17)2;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,24,28);3-10,12H,11H2,1-2H3,(H,23,27);3-9,11H,10H2,1-2H3,(H,21,23,27);4-7,9-10H,8H2,1-3H3,(H,22,26);3-8,10H,9H2,1-2H3,(H,21,25)
• InChIKey: GNWLVOVUHBNHLB-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 528.28 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 21
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2008.13
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

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

The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]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 (CID 158312752) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]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.

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

The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]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 is COc1cccc(-c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)c1.Cc1nc(-c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cs1.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-[4-(3-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]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?

The InChIKey is GNWLVOVUHBNHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4.C20H18N6O3.C19H17N7O3.C19H18N6O3S.C18H16N6O3S/c1-25-20-19(21(29)26(2)22(25)30)27(13-23-20)12-18(28)24-16-9-7-14(8-10-16)15-5-4-6-17(11-15)31-3;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;1-11-21-14(9-29-11)12-4-6-13(7-5-12)22-15(26)8-25-10-20-17-16(25)18(27)24(3)19(28)23(17)2;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,24,28);3-10,12H,11H2,1-2H3,(H,23,27);3-9,11H,10H2,1-2H3,(H,21,23,27);4-7,9-10H,8H2,1-3H3,(H,22,26);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-[4-(3-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]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?

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]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 has a molecular weight of 2008.13 g/mol, XLogP of 6.11, 21 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]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 is sourced from PubChem (CID 158312752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).