2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane;methyl 5-[2-chloro-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylic acid

C86H118BCl3N22O16Si4 — CID 159847307

About 2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane;methyl 5-[2-chloro-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylic acid

2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane;methyl 5-[2-chloro-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylic acid (PubChem CID 159847307) has the molecular formula C86H118BCl3N22O16Si4 and a molecular weight of 1945.54 g/mol. Its IUPAC name is 2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane;methyl 5-[2-chloro-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane;methyl 5-[2-chloro-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylic acid
• PubChem CID: 159847307
• Molecular Formula: C86H118BCl3N22O16Si4
• Molecular Weight: 1945.54 g/mol
• Exact Mass: 1942.73
• IUPAC Name: 2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane;methyl 5-[2-chloro-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylic acid
• SMILES: C.COC(=O)c1ccc(-c2nc(Cl)nc3c2ncn3COCC[Si](C)(C)C)cn1.COC(=O)c1ccc(-c2nc(N3CCOCC3)nc3c2ncn3COCC[Si](C)(C)C)cn1.COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.C[Si](C)(C)CCOCn1cnc2c(-c3ccc(C(=O)O)nc3)nc(N3CCOCC3)nc21.C[Si](C)(C)CCOCn1cnc2c(Cl)nc(Cl)nc21
• InChI: InChI=1S/C22H30N6O4Si.C21H28N6O4Si.C18H22ClN5O3Si.C13H18BNO4.C11H16Cl2N4OSi.CH4/c1-30-21(29)17-6-5-16(13-23-17)18-19-20(26-22(25-18)27-7-9-31-10-8-27)28(14-24-19)15-32-11-12-33(2,3)4;1-32(2,3)11-10-31-14-27-13-23-18-17(15-4-5-16(20(28)29)22-12-15)24-21(25-19(18)27)26-6-8-30-9-7-26;1-26-17(25)13-6-5-12(9-20-13)14-15-16(23-18(19)22-14)24(10-21-15)11-27-7-8-28(2,3)4;1-12(2)13(3,4)19-14(18-12)9-6-7-10(15-8-9)11(16)17-5;1-19(2,3)5-4-18-7-17-6-14-8-9(12)15-11(13)16-10(8)17;/h5-6,13-14H,7-12,15H2,1-4H3;4-5,12-13H,6-11,14H2,1-3H3,(H,28,29);5-6,9-10H,7-8,11H2,1-4H3;6-8H,1-5H3;6H,4-5,7H2,1-3H3;1H4
• InChIKey: NPLYKDAODYBRHB-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 422.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 37
• Rotatable Bonds: 30
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1945.54
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane;methyl 5-[2-chloro-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylic acid?

The IUPAC name of 2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane;methyl 5-[2-chloro-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylic acid (CID 159847307) is 2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane;methyl 5-[2-chloro-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylic acid.

What is the SMILES notation for 2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane;methyl 5-[2-chloro-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylic acid?

The canonical SMILES for 2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane;methyl 5-[2-chloro-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylic acid is C.COC(=O)c1ccc(-c2nc(Cl)nc3c2ncn3COCC[Si](C)(C)C)cn1.COC(=O)c1ccc(-c2nc(N3CCOCC3)nc3c2ncn3COCC[Si](C)(C)C)cn1.COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.C[Si](C)(C)CCOCn1cnc2c(-c3ccc(C(=O)O)nc3)nc(N3CCOCC3)nc21.C[Si](C)(C)CCOCn1cnc2c(Cl)nc(Cl)nc21.

What is the InChIKey of 2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane;methyl 5-[2-chloro-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylic acid?

The InChIKey is NPLYKDAODYBRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O4Si.C21H28N6O4Si.C18H22ClN5O3Si.C13H18BNO4.C11H16Cl2N4OSi.CH4/c1-30-21(29)17-6-5-16(13-23-17)18-19-20(26-22(25-18)27-7-9-31-10-8-27)28(14-24-19)15-32-11-12-33(2,3)4;1-32(2,3)11-10-31-14-27-13-23-18-17(15-4-5-16(20(28)29)22-12-15)24-21(25-19(18)27)26-6-8-30-9-7-26;1-26-17(25)13-6-5-12(9-20-13)14-15-16(23-18(19)22-14)24(10-21-15)11-27-7-8-28(2,3)4;1-12(2)13(3,4)19-14(18-12)9-6-7-10(15-8-9)11(16)17-5;1-19(2,3)5-4-18-7-17-6-14-8-9(12)15-11(13)16-10(8)17;/h5-6,13-14H,7-12,15H2,1-4H3;4-5,12-13H,6-11,14H2,1-3H3,(H,28,29);5-6,9-10H,7-8,11H2,1-4H3;6-8H,1-5H3;6H,4-5,7H2,1-3H3;1H4.

What are the key properties of 2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane;methyl 5-[2-chloro-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylic acid?

2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane;methyl 5-[2-chloro-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylic acid has a molecular weight of 1945.54 g/mol, XLogP of 14.45, 30 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane;methyl 5-[2-chloro-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 159847307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).