5-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]-N-methylpyridine-2-carboxamide;N-methyl-5-(2-morpholin-4-yl-7H-purin-6-yl)pyridine-2-carboxamide;N-methyl-5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxamide

C56H69N21O8Si — CID 159220722

About 5-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]-N-methylpyridine-2-carboxamide;N-methyl-5-(2-morpholin-4-yl-7H-purin-6-yl)pyridine-2-carboxamide;N-methyl-5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxamide

5-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]-N-methylpyridine-2-carboxamide;N-methyl-5-(2-morpholin-4-yl-7H-purin-6-yl)pyridine-2-carboxamide;N-methyl-5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxamide (PubChem CID 159220722) has the molecular formula C56H69N21O8Si and a molecular weight of 1192.39 g/mol. Its IUPAC name is 5-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]-N-methylpyridine-2-carboxamide;N-methyl-5-(2-morpholin-4-yl-7H-purin-6-yl)pyridine-2-carboxamide;N-methyl-5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]-N-methylpyridine-2-carboxamide;N-methyl-5-(2-morpholin-4-yl-7H-purin-6-yl)pyridine-2-carboxamide;N-methyl-5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxamide
• PubChem CID: 159220722
• Molecular Formula: C56H69N21O8Si
• Molecular Weight: 1192.39 g/mol
• Exact Mass: 1191.54
• IUPAC Name: 5-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]-N-methylpyridine-2-carboxamide;N-methyl-5-(2-morpholin-4-yl-7H-purin-6-yl)pyridine-2-carboxamide;N-methyl-5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(-c2nc(N3CCOCC3)nc3c2ncn3CCO)cn1.CNC(=O)c1ccc(-c2nc(N3CCOCC3)nc3c2ncn3COCC[Si](C)(C)C)cn1.CNC(=O)c1ccc(-c2nc(N3CCOCC3)nc3nc[nH]c23)cn1
• InChI: InChI=1S/C22H31N7O3Si.C18H21N7O3.C16H17N7O2/c1-23-21(30)17-6-5-16(13-24-17)18-19-20(27-22(26-18)28-7-9-31-10-8-28)29(14-25-19)15-32-11-12-33(2,3)4;1-19-17(27)13-3-2-12(10-20-13)14-15-16(25(4-7-26)11-21-15)23-18(22-14)24-5-8-28-9-6-24;1-17-15(24)11-3-2-10(8-18-11)12-13-14(20-9-19-13)22-16(21-12)23-4-6-25-7-5-23/h5-6,13-14H,7-12,15H2,1-4H3,(H,23,30);2-3,10-11,26H,4-9H2,1H3,(H,19,27);2-3,8-9H,4-7H2,1H3,(H,17,24)(H,19,20,21,22)
• InChIKey: KRQMBNLZKBVTOG-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 334.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1192.39
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]-N-methylpyridine-2-carboxamide;N-methyl-5-(2-morpholin-4-yl-7H-purin-6-yl)pyridine-2-carboxamide;N-methyl-5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxamide?

The IUPAC name of 5-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]-N-methylpyridine-2-carboxamide;N-methyl-5-(2-morpholin-4-yl-7H-purin-6-yl)pyridine-2-carboxamide;N-methyl-5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxamide (CID 159220722) is 5-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]-N-methylpyridine-2-carboxamide;N-methyl-5-(2-morpholin-4-yl-7H-purin-6-yl)pyridine-2-carboxamide;N-methyl-5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]-N-methylpyridine-2-carboxamide;N-methyl-5-(2-morpholin-4-yl-7H-purin-6-yl)pyridine-2-carboxamide;N-methyl-5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxamide?

The canonical SMILES for 5-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]-N-methylpyridine-2-carboxamide;N-methyl-5-(2-morpholin-4-yl-7H-purin-6-yl)pyridine-2-carboxamide;N-methyl-5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(-c2nc(N3CCOCC3)nc3c2ncn3CCO)cn1.CNC(=O)c1ccc(-c2nc(N3CCOCC3)nc3c2ncn3COCC[Si](C)(C)C)cn1.CNC(=O)c1ccc(-c2nc(N3CCOCC3)nc3nc[nH]c23)cn1.

What is the InChIKey of 5-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]-N-methylpyridine-2-carboxamide;N-methyl-5-(2-morpholin-4-yl-7H-purin-6-yl)pyridine-2-carboxamide;N-methyl-5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxamide?

The InChIKey is KRQMBNLZKBVTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O3Si.C18H21N7O3.C16H17N7O2/c1-23-21(30)17-6-5-16(13-24-17)18-19-20(27-22(26-18)28-7-9-31-10-8-28)29(14-25-19)15-32-11-12-33(2,3)4;1-19-17(27)13-3-2-12(10-20-13)14-15-16(25(4-7-26)11-21-15)23-18(22-14)24-5-8-28-9-6-24;1-17-15(24)11-3-2-10(8-18-11)12-13-14(20-9-19-13)22-16(21-12)23-4-6-25-7-5-23/h5-6,13-14H,7-12,15H2,1-4H3,(H,23,30);2-3,10-11,26H,4-9H2,1H3,(H,19,27);2-3,8-9H,4-7H2,1H3,(H,17,24)(H,19,20,21,22).

What are the key properties of 5-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]-N-methylpyridine-2-carboxamide;N-methyl-5-(2-morpholin-4-yl-7H-purin-6-yl)pyridine-2-carboxamide;N-methyl-5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxamide?

5-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]-N-methylpyridine-2-carboxamide;N-methyl-5-(2-morpholin-4-yl-7H-purin-6-yl)pyridine-2-carboxamide;N-methyl-5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxamide has a molecular weight of 1192.39 g/mol, XLogP of 3.08, 16 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]-N-methylpyridine-2-carboxamide;N-methyl-5-(2-morpholin-4-yl-7H-purin-6-yl)pyridine-2-carboxamide;N-methyl-5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 159220722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).