9-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propyl]-2-chloro-N-methylpurin-6-amine

C22H42ClN5O2Si2 — CID 11733801

About 9-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propyl]-2-chloro-N-methylpurin-6-amine

9-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propyl]-2-chloro-N-methylpurin-6-amine (PubChem CID 11733801) has the molecular formula C22H42ClN5O2Si2 and a molecular weight of 500.24 g/mol. Its IUPAC name is 9-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propyl]-2-chloro-N-methylpurin-6-amine.

Molecular Properties

• Compound Name: 9-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propyl]-2-chloro-N-methylpurin-6-amine
• PubChem CID: 11733801
• Molecular Formula: C22H42ClN5O2Si2
• Molecular Weight: 500.24 g/mol
• Exact Mass: 499.26
• IUPAC Name: 9-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propyl]-2-chloro-N-methylpurin-6-amine
• SMILES: CNc1nc(Cl)nc2c1ncn2CC(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C22H42ClN5O2Si2/c1-21(2,3)31(8,9)29-13-16(14-30-32(10,11)22(4,5)6)12-28-15-25-17-18(24-7)26-20(23)27-19(17)28/h15-16H,12-14H2,1-11H3,(H,24,26,27)
• InChIKey: NUQWFXIVDCTBBQ-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 74.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.24
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propyl]-2-chloro-N-methylpurin-6-amine?

The IUPAC name of 9-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propyl]-2-chloro-N-methylpurin-6-amine (CID 11733801) is 9-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propyl]-2-chloro-N-methylpurin-6-amine.

What is the SMILES notation for 9-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propyl]-2-chloro-N-methylpurin-6-amine?

The canonical SMILES for 9-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propyl]-2-chloro-N-methylpurin-6-amine is CNc1nc(Cl)nc2c1ncn2CC(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of 9-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propyl]-2-chloro-N-methylpurin-6-amine?

The InChIKey is NUQWFXIVDCTBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42ClN5O2Si2/c1-21(2,3)31(8,9)29-13-16(14-30-32(10,11)22(4,5)6)12-28-15-25-17-18(24-7)26-20(23)27-19(17)28/h15-16H,12-14H2,1-11H3,(H,24,26,27).

What are the key properties of 9-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propyl]-2-chloro-N-methylpurin-6-amine?

9-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propyl]-2-chloro-N-methylpurin-6-amine has a molecular weight of 500.24 g/mol, XLogP of 6.18, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propyl]-2-chloro-N-methylpurin-6-amine is sourced from PubChem (CID 11733801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).