Trimethyl-[2-[[2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl]silane

C₁₉H₂₃F₃N₄O₂Si — CID 164880991

About Trimethyl-[2-[[2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl]silane

Trimethyl-[2-[[2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl]silane (PubChem CID 164880991) has the molecular formula C₁₉H₂₃F₃N₄O₂Si and a molecular weight of 424.50 g/mol. Its IUPAC name is trimethyl-[2-[[2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: Trimethyl-[2-[[2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl]silane
• PubChem CID: 164880991
• Molecular Formula: C₁₉H₂₃F₃N₄O₂Si
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.15
• IUPAC Name: trimethyl-[2-[[2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl]silane
• SMILES: C[Si](C)(C)CCOCn1ccc2nc(-c3cccnc3OCC(F)(F)F)ncc21
• InChI: InChI=1S/C19H23F3N4O2Si/c1-29(2,3)10-9-27-13-26-8-6-15-16(26)11-24-17(25-15)14-5-4-7-23-18(14)28-12-19(20,21)22/h4-8,11H,9-10,12-13H2,1-3H3
• InChIKey: VCAMYVVNWVSIKT-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 62.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 Trimethyl-[2-[[2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl]silane?

The IUPAC name of Trimethyl-[2-[[2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl]silane (CID 164880991) is trimethyl-[2-[[2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl]silane.

What is the SMILES notation for Trimethyl-[2-[[2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl]silane?

The canonical SMILES for Trimethyl-[2-[[2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1ccc2nc(-c3cccnc3OCC(F)(F)F)ncc21.

What is the InChIKey of Trimethyl-[2-[[2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl]silane?

The InChIKey is VCAMYVVNWVSIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2Si/c1-29(2,3)10-9-27-13-26-8-6-15-16(26)11-24-17(25-15)14-5-4-7-23-18(14)28-12-19(20,21)22/h4-8,11H,9-10,12-13H2,1-3H3.

What are the key properties of Trimethyl-[2-[[2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl]silane?

Trimethyl-[2-[[2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl]silane has a molecular weight of 424.50 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Trimethyl-[2-[[2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl]silane is sourced from PubChem (CID 164880991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 164880991 — identifiers, structure, computed properties (public domain)

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