(4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane

C₁₇H₂₄N₂Si — CID 135073476

About (4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane

(4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane (PubChem CID 135073476) has the molecular formula C₁₇H₂₄N₂Si and a molecular weight of 284.48 g/mol. Its IUPAC name is (4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane.

Molecular Properties

• Compound Name: (4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane
• PubChem CID: 135073476
• Molecular Formula: C₁₇H₂₄N₂Si
• Molecular Weight: 284.48 g/mol
• Exact Mass: 284.17
• IUPAC Name: (4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane
• SMILES: Cc1ccc([Si](c2ncccn2)(C(C)C)C(C)C)cc1
• InChI: InChI=1S/C17H24N2Si/c1-13(2)20(14(3)4,17-18-11-6-12-19-17)16-9-7-15(5)8-10-16/h6-14H,1-5H3
• InChIKey: LFGJJRQCQHYJDY-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.48
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane?

The IUPAC name of (4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane (CID 135073476) is (4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane.

What is the SMILES notation for (4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane?

The canonical SMILES for (4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane is Cc1ccc([Si](c2ncccn2)(C(C)C)C(C)C)cc1.

What is the InChIKey of (4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane?

The InChIKey is LFGJJRQCQHYJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2Si/c1-13(2)20(14(3)4,17-18-11-6-12-19-17)16-9-7-15(5)8-10-16/h6-14H,1-5H3.

What are the key properties of (4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane?

(4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane has a molecular weight of 284.48 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methylphenyl)-di(propan-2-yl)-pyrimidin-2-ylsilane is sourced from PubChem (CID 135073476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135073476 — identifiers, structure, computed properties (public domain)

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