Tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane

C₃₃H₄₄N₄OSi — CID 175898859

About Tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane

Tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane (PubChem CID 175898859) has the molecular formula C₃₃H₄₄N₄OSi and a molecular weight of 540.83 g/mol. Its IUPAC name is tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane.

Molecular Properties

• Compound Name: Tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane
• PubChem CID: 175898859
• Molecular Formula: C₃₃H₄₄N₄OSi
• Molecular Weight: 540.83 g/mol
• Exact Mass: 540.33
• IUPAC Name: tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane
• SMILES: Cc1nc(N2CCC(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)ccc1N1C=CCNC1
• InChI: InChI=1S/C33H44N4OSi/c1-27-31(37-22-11-21-34-26-37)16-17-32(35-27)36-23-18-28(19-24-36)20-25-38-39(33(2,3)4,29-12-7-5-8-13-29)30-14-9-6-10-15-30/h5-17,22,28,34H,18-21,23-26H2,1-4H3
• InChIKey: ODFXNRPLOHSQLF-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 40.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.83
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane?

The IUPAC name of Tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane (CID 175898859) is tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane.

What is the SMILES notation for Tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane?

The canonical SMILES for Tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane is Cc1nc(N2CCC(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)ccc1N1C=CCNC1.

What is the InChIKey of Tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane?

The InChIKey is ODFXNRPLOHSQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N4OSi/c1-27-31(37-22-11-21-34-26-37)16-17-32(35-27)36-23-18-28(19-24-36)20-25-38-39(33(2,3)4,29-12-7-5-8-13-29)30-14-9-6-10-15-30/h5-17,22,28,34H,18-21,23-26H2,1-4H3.

What are the key properties of Tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane?

Tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane has a molecular weight of 540.83 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 175898859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175898859 — identifiers, structure, computed properties (public domain)

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