3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-ethoxyethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine

C25H41N9O2Si — CID 69371350

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-ethoxyethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine

3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-ethoxyethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 69371350) has the molecular formula C25H41N9O2Si and a molecular weight of 527.75 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-ethoxyethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-ethoxyethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
• PubChem CID: 69371350
• Molecular Formula: C25H41N9O2Si
• Molecular Weight: 527.75 g/mol
• Exact Mass: 527.32
• IUPAC Name: 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-ethoxyethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
• SMILES: CCOCCn1nc(CO[Si](C)(C)C(C)(C)C)c2nc(N3CCN[C@H](C)C3)nc(Nc3ccncn3)c21
• InChI: InChI=1S/C25H41N9O2Si/c1-8-35-14-13-34-22-21(19(32-34)16-36-37(6,7)25(3,4)5)30-24(33-12-11-27-18(2)15-33)31-23(22)29-20-9-10-26-17-28-20/h9-10,17-18,27H,8,11-16H2,1-7H3,(H,26,28,29,30,31)/t18-/m1/s1
• InChIKey: SUBWODCNZCGNQM-GOSISDBHSA-N
• XLogP: 3.72
• TPSA: 115.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.75
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-ethoxyethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine?

The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-ethoxyethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine (CID 69371350) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-ethoxyethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine.

What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-ethoxyethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine?

The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-ethoxyethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine is CCOCCn1nc(CO[Si](C)(C)C(C)(C)C)c2nc(N3CCN[C@H](C)C3)nc(Nc3ccncn3)c21.

What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-ethoxyethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine?

The InChIKey is SUBWODCNZCGNQM-GOSISDBHSA-N. The full InChI is InChI=1S/C25H41N9O2Si/c1-8-35-14-13-34-22-21(19(32-34)16-36-37(6,7)25(3,4)5)30-24(33-12-11-27-18(2)15-33)31-23(22)29-20-9-10-26-17-28-20/h9-10,17-18,27H,8,11-16H2,1-7H3,(H,26,28,29,30,31)/t18-/m1/s1.

What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-ethoxyethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine?

3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-ethoxyethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 527.75 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-ethoxyethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 69371350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).