8-bromo-3-methyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-bromo-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-bromo-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;molecular hydrogen;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane

C94H136B3Br5Cl2N26O25Si4 — CID 159929042

About 8-bromo-3-methyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-bromo-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-bromo-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;molecular hydrogen;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane

8-bromo-3-methyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-bromo-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-bromo-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;molecular hydrogen;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane (PubChem CID 159929042) has the molecular formula C94H136B3Br5Cl2N26O25Si4 and a molecular weight of 2645.48 g/mol. Its IUPAC name is 8-bromo-3-methyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-bromo-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-bromo-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;molecular hydrogen;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane.

Molecular Properties

• Compound Name: 8-bromo-3-methyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-bromo-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-bromo-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;molecular hydrogen;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
• PubChem CID: 159929042
• Molecular Formula: C94H136B3Br5Cl2N26O25Si4
• Molecular Weight: 2645.48 g/mol
• Exact Mass: 2638.48
• IUPAC Name: 8-bromo-3-methyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-bromo-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-bromo-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;molecular hydrogen;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
• SMILES: CB1OB(C)OB(C)O1.CC(=O)Cn1c(=O)c2c(n(C)c1=O)N=C(C)C2.CC(=O)Cn1c(=O)c2c(nc(Br)n2COCC[Si](C)(C)C)n(C)c1=O.CC(=O)Cn1c(=O)c2c(nc(C)n2CC(=O)Nc2cccc(Br)n2)n(C)c1=O.CC(=O)Cn1c(=O)c2c(nc(C)n2COCC[Si](C)(C)C)n(C)c1=O.C[Si](C)(C)CCOCCl.Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2COCC[Si](C)(C)C.Cn1c2c(c(=O)[nH]c1=O)CC(Br)=N2.O=C(CCl)Nc1cccc(Br)n1.[H][H]
• InChI: InChI=1S/C17H17BrN6O4.C16H26N4O4Si.C15H23BrN4O4Si.C12H19BrN4O3Si.C11H13N3O3.C7H6BrClN2O.C7H6BrN3O2.C6H15ClOSi.C3H9B3O3.H2/c1-9(25)7-24-16(27)14-15(22(3)17(24)28)19-10(2)23(14)8-13(26)21-12-6-4-5-11(18)20-12;1-11(21)9-19-15(22)13-14(18(3)16(19)23)17-12(2)20(13)10-24-7-8-25(4,5)6;1-10(21)8-19-13(22)11-12(18(2)15(19)23)17-14(16)20(11)9-24-6-7-25(3,4)5;1-16-9-8(10(18)15-12(16)19)17(11(13)14-9)7-20-5-6-21(2,3)4;1-6-4-8-9(12-6)13(3)11(17)14(10(8)16)5-7(2)15;8-5-2-1-3-6(10-5)11-7(12)4-9;1-11-5-3(2-4(8)9-5)6(12)10-7(11)13;1-9(2,3)5-4-8-6-7;1-4-7-5(2)9-6(3)8-4;/h4-6H,7-8H2,1-3H3,(H,20,21,26);7-10H2,1-6H3;6-9H2,1-5H3;5-7H2,1-4H3,(H,15,18,19);4-5H2,1-3H3;1-3H,4H2,(H,10,11,12);2H2,1H3,(H,10,12,13);4-6H2,1-3H3;1-3H3;1H
• InChIKey: NZJZULKAXFBTRS-UHFFFAOYSA-N
• XLogP: 9.80
• TPSA: 598.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 47
• Rotatable Bonds: 32
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2645.48
LogP ≤ 5	9.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-methyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-bromo-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-bromo-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;molecular hydrogen;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?

The IUPAC name of 8-bromo-3-methyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-bromo-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-bromo-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;molecular hydrogen;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane (CID 159929042) is 8-bromo-3-methyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-bromo-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-bromo-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;molecular hydrogen;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane.

What is the SMILES notation for 8-bromo-3-methyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-bromo-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-bromo-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;molecular hydrogen;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?

The canonical SMILES for 8-bromo-3-methyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-bromo-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-bromo-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;molecular hydrogen;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane is CB1OB(C)OB(C)O1.CC(=O)Cn1c(=O)c2c(n(C)c1=O)N=C(C)C2.CC(=O)Cn1c(=O)c2c(nc(Br)n2COCC[Si](C)(C)C)n(C)c1=O.CC(=O)Cn1c(=O)c2c(nc(C)n2CC(=O)Nc2cccc(Br)n2)n(C)c1=O.CC(=O)Cn1c(=O)c2c(nc(C)n2COCC[Si](C)(C)C)n(C)c1=O.C[Si](C)(C)CCOCCl.Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2COCC[Si](C)(C)C.Cn1c2c(c(=O)[nH]c1=O)CC(Br)=N2.O=C(CCl)Nc1cccc(Br)n1.[H][H].

What is the InChIKey of 8-bromo-3-methyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-bromo-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-bromo-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;molecular hydrogen;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?

The InChIKey is NZJZULKAXFBTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN6O4.C16H26N4O4Si.C15H23BrN4O4Si.C12H19BrN4O3Si.C11H13N3O3.C7H6BrClN2O.C7H6BrN3O2.C6H15ClOSi.C3H9B3O3.H2/c1-9(25)7-24-16(27)14-15(22(3)17(24)28)19-10(2)23(14)8-13(26)21-12-6-4-5-11(18)20-12;1-11(21)9-19-15(22)13-14(18(3)16(19)23)17-12(2)20(13)10-24-7-8-25(4,5)6;1-10(21)8-19-13(22)11-12(18(2)15(19)23)17-14(16)20(11)9-24-6-7-25(3,4)5;1-16-9-8(10(18)15-12(16)19)17(11(13)14-9)7-20-5-6-21(2,3)4;1-6-4-8-9(12-6)13(3)11(17)14(10(8)16)5-7(2)15;8-5-2-1-3-6(10-5)11-7(12)4-9;1-11-5-3(2-4(8)9-5)6(12)10-7(11)13;1-9(2,3)5-4-8-6-7;1-4-7-5(2)9-6(3)8-4;/h4-6H,7-8H2,1-3H3,(H,20,21,26);7-10H2,1-6H3;6-9H2,1-5H3;5-7H2,1-4H3,(H,15,18,19);4-5H2,1-3H3;1-3H,4H2,(H,10,11,12);2H2,1H3,(H,10,12,13);4-6H2,1-3H3;1-3H3;1H.

What are the key properties of 8-bromo-3-methyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-bromo-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-bromo-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;molecular hydrogen;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?

8-bromo-3-methyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-bromo-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-bromo-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;molecular hydrogen;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane has a molecular weight of 2645.48 g/mol, XLogP of 9.80, 32 rotatable bonds, 4 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-3-methyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-bromo-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-bromo-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;molecular hydrogen;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane is sourced from PubChem (CID 159929042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).