N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine

C₁₉H₃₂N₄OSi — CID 141355610

About N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine

N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine (PubChem CID 141355610) has the molecular formula C₁₉H₃₂N₄OSi and a molecular weight of 360.58 g/mol. Its IUPAC name is N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine.

Molecular Properties

• Compound Name: N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine
• PubChem CID: 141355610
• Molecular Formula: C₁₉H₃₂N₄OSi
• Molecular Weight: 360.58 g/mol
• Exact Mass: 360.23
• IUPAC Name: N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine
• SMILES: C[Si](C)(C)CCOCn1ccc2c(CNC3CCCCC3)ncnc21
• InChI: InChI=1S/C19H32N4OSi/c1-25(2,3)12-11-24-15-23-10-9-17-18(21-14-22-19(17)23)13-20-16-7-5-4-6-8-16/h9-10,14,16,20H,4-8,11-13,15H2,1-3H3
• InChIKey: OOFQBRUDMBVMRM-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 51.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.58
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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 N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine?

The IUPAC name of N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine (CID 141355610) is N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine.

What is the SMILES notation for N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine?

The canonical SMILES for N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine is C[Si](C)(C)CCOCn1ccc2c(CNC3CCCCC3)ncnc21.

What is the InChIKey of N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine?

The InChIKey is OOFQBRUDMBVMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4OSi/c1-25(2,3)12-11-24-15-23-10-9-17-18(21-14-22-19(17)23)13-20-16-7-5-4-6-8-16/h9-10,14,16,20H,4-8,11-13,15H2,1-3H3.

What are the key properties of N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine?

N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine has a molecular weight of 360.58 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine is sourced from PubChem (CID 141355610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141355610 — identifiers, structure, computed properties (public domain)

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