4-amino-2-(1H-imidazol-2-yl)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;8-ethoxy-9-[(6-methyl-3-pyridinyl)methyl]-2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]purin-6-amine;methane;tungsten

C₄₀H₅₁N₁₅O₃SiW — CID 161117806

About 4-amino-2-(1H-imidazol-2-yl)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;8-ethoxy-9-[(6-methyl-3-pyridinyl)methyl]-2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]purin-6-amine;methane;tungsten

4-amino-2-(1H-imidazol-2-yl)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;8-ethoxy-9-[(6-methyl-3-pyridinyl)methyl]-2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]purin-6-amine;methane;tungsten (PubChem CID 161117806) has the molecular formula C₄₀H₅₁N₁₅O₃SiW and a molecular weight of 1001.88 g/mol. Its IUPAC name is 4-amino-2-(1H-imidazol-2-yl)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;8-ethoxy-9-[(6-methyl-3-pyridinyl)methyl]-2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]purin-6-amine;methane;tungsten.

Molecular Properties

• Compound Name: 4-amino-2-(1H-imidazol-2-yl)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;8-ethoxy-9-[(6-methyl-3-pyridinyl)methyl]-2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]purin-6-amine;methane;tungsten
• PubChem CID: 161117806
• Molecular Formula: C₄₀H₅₁N₁₅O₃SiW
• Molecular Weight: 1001.88 g/mol
• Exact Mass: 1001.36
• IUPAC Name: 4-amino-2-(1H-imidazol-2-yl)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;8-ethoxy-9-[(6-methyl-3-pyridinyl)methyl]-2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]purin-6-amine;methane;tungsten
• SMILES: C.CCOc1nc2c(N)nc(-c3nccn3COCC[Si](C)(C)C)nc2n1Cc1ccc(C)nc1.Cc1ccc(CN2C(=O)Cc3c(N)nc(-c4ncc[nH]4)nc32)cn1.[W]
• InChI: InChI=1S/C23H32N8O2Si.C16H15N7O.CH4.W/c1-6-33-23-27-18-19(24)28-20(22-25-9-10-30(22)15-32-11-12-34(3,4)5)29-21(18)31(23)14-17-8-7-16(2)26-13-17;1-9-2-3-10(7-20-9)8-23-12(24)6-11-13(17)21-15(22-16(11)23)14-18-4-5-19-14;;/h7-10,13H,6,11-12,14-15H2,1-5H3,(H2,24,28,29);2-5,7H,6,8H2,1H3,(H,18,19)(H2,17,21,22);1H4
• InChIKey: VPXGIRAIQMLIDB-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 232.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1001.88
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

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 4-amino-2-(1H-imidazol-2-yl)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;8-ethoxy-9-[(6-methyl-3-pyridinyl)methyl]-2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]purin-6-amine;methane;tungsten?

The IUPAC name of 4-amino-2-(1H-imidazol-2-yl)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;8-ethoxy-9-[(6-methyl-3-pyridinyl)methyl]-2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]purin-6-amine;methane;tungsten (CID 161117806) is 4-amino-2-(1H-imidazol-2-yl)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;8-ethoxy-9-[(6-methyl-3-pyridinyl)methyl]-2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]purin-6-amine;methane;tungsten.

What is the SMILES notation for 4-amino-2-(1H-imidazol-2-yl)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;8-ethoxy-9-[(6-methyl-3-pyridinyl)methyl]-2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]purin-6-amine;methane;tungsten?

The canonical SMILES for 4-amino-2-(1H-imidazol-2-yl)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;8-ethoxy-9-[(6-methyl-3-pyridinyl)methyl]-2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]purin-6-amine;methane;tungsten is C.CCOc1nc2c(N)nc(-c3nccn3COCC[Si](C)(C)C)nc2n1Cc1ccc(C)nc1.Cc1ccc(CN2C(=O)Cc3c(N)nc(-c4ncc[nH]4)nc32)cn1.[W].

What is the InChIKey of 4-amino-2-(1H-imidazol-2-yl)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;8-ethoxy-9-[(6-methyl-3-pyridinyl)methyl]-2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]purin-6-amine;methane;tungsten?

The InChIKey is VPXGIRAIQMLIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8O2Si.C16H15N7O.CH4.W/c1-6-33-23-27-18-19(24)28-20(22-25-9-10-30(22)15-32-11-12-34(3,4)5)29-21(18)31(23)14-17-8-7-16(2)26-13-17;1-9-2-3-10(7-20-9)8-23-12(24)6-11-13(17)21-15(22-16(11)23)14-18-4-5-19-14;;/h7-10,13H,6,11-12,14-15H2,1-5H3,(H2,24,28,29);2-5,7H,6,8H2,1H3,(H,18,19)(H2,17,21,22);1H4;.

What are the key properties of 4-amino-2-(1H-imidazol-2-yl)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;8-ethoxy-9-[(6-methyl-3-pyridinyl)methyl]-2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]purin-6-amine;methane;tungsten?

4-amino-2-(1H-imidazol-2-yl)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;8-ethoxy-9-[(6-methyl-3-pyridinyl)methyl]-2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]purin-6-amine;methane;tungsten has a molecular weight of 1001.88 g/mol, XLogP of 5.61, 13 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-(1H-imidazol-2-yl)-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;8-ethoxy-9-[(6-methyl-3-pyridinyl)methyl]-2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]purin-6-amine;methane;tungsten is sourced from PubChem (CID 161117806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161117806 — identifiers, structure, computed properties (public domain)

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