2-[[3-bromo-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane

C19H25BrN6O2Si — CID 171781729

About 2-[[3-bromo-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-bromo-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 171781729) has the molecular formula C19H25BrN6O2Si and a molecular weight of 477.44 g/mol. Its IUPAC name is 2-[[3-bromo-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[3-bromo-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 171781729
• Molecular Formula: C19H25BrN6O2Si
• Molecular Weight: 477.44 g/mol
• Exact Mass: 476.10
• IUPAC Name: 2-[[3-bromo-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: COc1ncnc(C2CC2)c1-c1ncc2c(Br)nn(COCC[Si](C)(C)C)c2n1
• InChI: InChI=1S/C19H25BrN6O2Si/c1-27-19-14(15(12-5-6-12)22-10-23-19)17-21-9-13-16(20)25-26(18(13)24-17)11-28-7-8-29(2,3)4/h9-10,12H,5-8,11H2,1-4H3
• InChIKey: OGZHWUHQUXRXGX-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 87.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.44
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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 2-[[3-bromo-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[3-bromo-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane (CID 171781729) is 2-[[3-bromo-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[3-bromo-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[3-bromo-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane is COc1ncnc(C2CC2)c1-c1ncc2c(Br)nn(COCC[Si](C)(C)C)c2n1.

What is the InChIKey of 2-[[3-bromo-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is OGZHWUHQUXRXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN6O2Si/c1-27-19-14(15(12-5-6-12)22-10-23-19)17-21-9-13-16(20)25-26(18(13)24-17)11-28-7-8-29(2,3)4/h9-10,12H,5-8,11H2,1-4H3.

What are the key properties of 2-[[3-bromo-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?

2-[[3-bromo-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 477.44 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-bromo-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 171781729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).