3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde

C22H32N2O3Si — CID 58083069

About 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde

3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde (PubChem CID 58083069) has the molecular formula C22H32N2O3Si and a molecular weight of 400.60 g/mol. Its IUPAC name is 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde.

Molecular Properties

• Compound Name: 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde
• PubChem CID: 58083069
• Molecular Formula: C22H32N2O3Si
• Molecular Weight: 400.60 g/mol
• Exact Mass: 400.22
• IUPAC Name: 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde
• SMILES: Cc1nc(OCCO[Si](C)(C)C(C)(C)C)nc(C)c1-c1cccc(C=O)c1C
• InChI: InChI=1S/C22H32N2O3Si/c1-15-18(14-25)10-9-11-19(15)20-16(2)23-21(24-17(20)3)26-12-13-27-28(7,8)22(4,5)6/h9-11,14H,12-13H2,1-8H3
• InChIKey: YVVYUTJYXLGGSH-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 61.31 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.60
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde?

The IUPAC name of 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde (CID 58083069) is 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde.

What is the SMILES notation for 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde?

The canonical SMILES for 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde is Cc1nc(OCCO[Si](C)(C)C(C)(C)C)nc(C)c1-c1cccc(C=O)c1C.

What is the InChIKey of 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde?

The InChIKey is YVVYUTJYXLGGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3Si/c1-15-18(14-25)10-9-11-19(15)20-16(2)23-21(24-17(20)3)26-12-13-27-28(7,8)22(4,5)6/h9-11,14H,12-13H2,1-8H3.

What are the key properties of 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde?

3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde has a molecular weight of 400.60 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylbenzaldehyde is sourced from PubChem (CID 58083069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).