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;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-(6-methyl-2-pyridinyl)acetamide;1-chloropropan-2-one;2-[1-methyl-2,4-dioxo-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(6-methyl-2-pyridinyl)acetamide;1-methyl-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3-methyl-1-(2-oxopropyl)-8-pyridin-4-yl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;pyridin-4-ylboronic acid

C114H146BBr3Cl3N29O25Si4 — CID 157445174

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;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-(6-methyl-2-pyridinyl)acetamide;1-chloropropan-2-one;2-[1-methyl-2,4-dioxo-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(6-methyl-2-pyridinyl)acetamide;1-methyl-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3-methyl-1-(2-oxopropyl)-8-pyridin-4-yl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;pyridin-4-ylboronic acid

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;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-(6-methyl-2-pyridinyl)acetamide;1-chloropropan-2-one;2-[1-methyl-2,4-dioxo-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(6-methyl-2-pyridinyl)acetamide;1-methyl-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3-methyl-1-(2-oxopropyl)-8-pyridin-4-yl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;pyridin-4-ylboronic acid (PubChem CID 157445174) has the molecular formula C114H146BBr3Cl3N29O25Si4 and a molecular weight of 2791.83 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;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-(6-methyl-2-pyridinyl)acetamide;1-chloropropan-2-one;2-[1-methyl-2,4-dioxo-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(6-methyl-2-pyridinyl)acetamide;1-methyl-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3-methyl-1-(2-oxopropyl)-8-pyridin-4-yl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;pyridin-4-ylboronic acid.

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;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-(6-methyl-2-pyridinyl)acetamide;1-chloropropan-2-one;2-[1-methyl-2,4-dioxo-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(6-methyl-2-pyridinyl)acetamide;1-methyl-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3-methyl-1-(2-oxopropyl)-8-pyridin-4-yl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;pyridin-4-ylboronic acid
• PubChem CID: 157445174
• Molecular Formula: C114H146BBr3Cl3N29O25Si4
• Molecular Weight: 2791.83 g/mol
• Exact Mass: 2785.68
• 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;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-(6-methyl-2-pyridinyl)acetamide;1-chloropropan-2-one;2-[1-methyl-2,4-dioxo-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(6-methyl-2-pyridinyl)acetamide;1-methyl-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3-methyl-1-(2-oxopropyl)-8-pyridin-4-yl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;pyridin-4-ylboronic acid
• SMILES: CC(=O)CCl.CC(=O)Cn1c(=O)c2c(n(C)c1=O)N=C(c1ccncc1)C2.CC(=O)Cn1c(=O)c2c(n(C)c1=O)N=C(c1ccncc1)C2CC(=O)Nc1cccc(C)n1.CC(=O)Cn1c(=O)c2c(nc(-c3ccncc3)n2COCC[Si](C)(C)C)n(C)c1=O.CC(=O)Cn1c(=O)c2c(nc(Br)n2COCC[Si](C)(C)C)n(C)c1=O.C[Si](C)(C)CCOCCl.Cc1cccc(NC(=O)CCl)n1.Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2COCC[Si](C)(C)C.Cn1c2c(c(=O)[nH]c1=O)CC(Br)=N2.OB(O)c1ccncc1
• InChI: InChI=1S/C23H22N6O4.C20H27N5O4Si.C15H23BrN4O4Si.C15H14N4O3.C12H19BrN4O3Si.C8H9ClN2O.C7H6BrN3O2.C6H15ClOSi.C5H6BNO2.C3H5ClO/c1-13-5-4-6-17(25-13)26-18(31)11-16-19-21(27-20(16)15-7-9-24-10-8-15)28(3)23(33)29(22(19)32)12-14(2)30;1-14(26)12-24-19(27)16-18(23(2)20(24)28)22-17(15-6-8-21-9-7-15)25(16)13-29-10-11-30(3,4)5;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;1-9(20)8-19-14(21)11-7-12(10-3-5-16-6-4-10)17-13(11)18(2)15(19)22;1-16-9-8(10(18)15-12(16)19)17(11(13)14-9)7-20-5-6-21(2,3)4;1-6-3-2-4-7(10-6)11-8(12)5-9;1-11-5-3(2-4(8)9-5)6(12)10-7(11)13;1-9(2,3)5-4-8-6-7;8-6(9)5-1-3-7-4-2-5;1-3(5)2-4/h4-10,16H,11-12H2,1-3H3,(H,25,26,31);6-9H,10-13H2,1-5H3;6-9H2,1-5H3;3-6H,7-8H2,1-2H3;5-7H2,1-4H3,(H,15,18,19);2-4H,5H2,1H3,(H,10,11,12);2H2,1H3,(H,10,12,13);4-6H2,1-3H3;1-4,8-9H;2H2,1H3
• InChIKey: BSDDOWGKIZGDOR-UHFFFAOYSA-N
• XLogP: 10.34
• TPSA: 674.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 50
• Rotatable Bonds: 37
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2791.83
LogP ≤ 5	10.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'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;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-(6-methyl-2-pyridinyl)acetamide;1-chloropropan-2-one;2-[1-methyl-2,4-dioxo-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(6-methyl-2-pyridinyl)acetamide;1-methyl-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3-methyl-1-(2-oxopropyl)-8-pyridin-4-yl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;pyridin-4-ylboronic acid?

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;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-(6-methyl-2-pyridinyl)acetamide;1-chloropropan-2-one;2-[1-methyl-2,4-dioxo-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(6-methyl-2-pyridinyl)acetamide;1-methyl-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3-methyl-1-(2-oxopropyl)-8-pyridin-4-yl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;pyridin-4-ylboronic acid (CID 157445174) 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;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-(6-methyl-2-pyridinyl)acetamide;1-chloropropan-2-one;2-[1-methyl-2,4-dioxo-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(6-methyl-2-pyridinyl)acetamide;1-methyl-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3-methyl-1-(2-oxopropyl)-8-pyridin-4-yl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;pyridin-4-ylboronic acid.

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;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-(6-methyl-2-pyridinyl)acetamide;1-chloropropan-2-one;2-[1-methyl-2,4-dioxo-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(6-methyl-2-pyridinyl)acetamide;1-methyl-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3-methyl-1-(2-oxopropyl)-8-pyridin-4-yl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;pyridin-4-ylboronic acid?

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;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-(6-methyl-2-pyridinyl)acetamide;1-chloropropan-2-one;2-[1-methyl-2,4-dioxo-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(6-methyl-2-pyridinyl)acetamide;1-methyl-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3-methyl-1-(2-oxopropyl)-8-pyridin-4-yl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;pyridin-4-ylboronic acid is CC(=O)CCl.CC(=O)Cn1c(=O)c2c(n(C)c1=O)N=C(c1ccncc1)C2.CC(=O)Cn1c(=O)c2c(n(C)c1=O)N=C(c1ccncc1)C2CC(=O)Nc1cccc(C)n1.CC(=O)Cn1c(=O)c2c(nc(-c3ccncc3)n2COCC[Si](C)(C)C)n(C)c1=O.CC(=O)Cn1c(=O)c2c(nc(Br)n2COCC[Si](C)(C)C)n(C)c1=O.C[Si](C)(C)CCOCCl.Cc1cccc(NC(=O)CCl)n1.Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2COCC[Si](C)(C)C.Cn1c2c(c(=O)[nH]c1=O)CC(Br)=N2.OB(O)c1ccncc1.

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;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-(6-methyl-2-pyridinyl)acetamide;1-chloropropan-2-one;2-[1-methyl-2,4-dioxo-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(6-methyl-2-pyridinyl)acetamide;1-methyl-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3-methyl-1-(2-oxopropyl)-8-pyridin-4-yl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;pyridin-4-ylboronic acid?

The InChIKey is BSDDOWGKIZGDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4.C20H27N5O4Si.C15H23BrN4O4Si.C15H14N4O3.C12H19BrN4O3Si.C8H9ClN2O.C7H6BrN3O2.C6H15ClOSi.C5H6BNO2.C3H5ClO/c1-13-5-4-6-17(25-13)26-18(31)11-16-19-21(27-20(16)15-7-9-24-10-8-15)28(3)23(33)29(22(19)32)12-14(2)30;1-14(26)12-24-19(27)16-18(23(2)20(24)28)22-17(15-6-8-21-9-7-15)25(16)13-29-10-11-30(3,4)5;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;1-9(20)8-19-14(21)11-7-12(10-3-5-16-6-4-10)17-13(11)18(2)15(19)22;1-16-9-8(10(18)15-12(16)19)17(11(13)14-9)7-20-5-6-21(2,3)4;1-6-3-2-4-7(10-6)11-8(12)5-9;1-11-5-3(2-4(8)9-5)6(12)10-7(11)13;1-9(2,3)5-4-8-6-7;8-6(9)5-1-3-7-4-2-5;1-3(5)2-4/h4-10,16H,11-12H2,1-3H3,(H,25,26,31);6-9H,10-13H2,1-5H3;6-9H2,1-5H3;3-6H,7-8H2,1-2H3;5-7H2,1-4H3,(H,15,18,19);2-4H,5H2,1H3,(H,10,11,12);2H2,1H3,(H,10,12,13);4-6H2,1-3H3;1-4,8-9H;2H2,1H3.

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;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-(6-methyl-2-pyridinyl)acetamide;1-chloropropan-2-one;2-[1-methyl-2,4-dioxo-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(6-methyl-2-pyridinyl)acetamide;1-methyl-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3-methyl-1-(2-oxopropyl)-8-pyridin-4-yl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;pyridin-4-ylboronic acid?

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;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-(6-methyl-2-pyridinyl)acetamide;1-chloropropan-2-one;2-[1-methyl-2,4-dioxo-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(6-methyl-2-pyridinyl)acetamide;1-methyl-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3-methyl-1-(2-oxopropyl)-8-pyridin-4-yl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;pyridin-4-ylboronic acid has a molecular weight of 2791.83 g/mol, XLogP of 10.34, 37 rotatable bonds, 6 hydrogen bond donors, and 50 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;2-(chloromethoxy)ethyl-trimethylsilane;2-chloro-N-(6-methyl-2-pyridinyl)acetamide;1-chloropropan-2-one;2-[1-methyl-2,4-dioxo-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(6-methyl-2-pyridinyl)acetamide;1-methyl-3-(2-oxopropyl)-6-pyridin-4-yl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3-methyl-1-(2-oxopropyl)-8-pyridin-4-yl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;pyridin-4-ylboronic acid is sourced from PubChem (CID 157445174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).