2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane

C11H17ClN4OSi — CID 140850911

IUPAC2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2nc(Cl)ncc21
InChIInChI=1S/C11H17ClN4OSi/c1-18(2,3)5-4-17-8-16-10-7-13-11(12)15-9(10)6-14-16/h6-7H,4-5,8H2,1-3H3
InChIKeyASDOWPIJDLWGTJ-UHFFFAOYSA-N
MW284.82 g/mol
LogP2.79
Rot. Bonds5

About 2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane

2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 140850911) has the molecular formula C11H17ClN4OSi and a molecular weight of 284.82 g/mol. Its IUPAC name is 2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID140850911
Molecular FormulaC11H17ClN4OSi
Molecular Weight284.82 g/mol
Exact Mass284.09
IUPAC Name2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2nc(Cl)ncc21
InChIInChI=1S/C11H17ClN4OSi/c1-18(2,3)5-4-17-8-16-10-7-13-11(12)15-9(10)6-14-16/h6-7H,4-5,8H2,1-3H3
InChIKeyASDOWPIJDLWGTJ-UHFFFAOYSA-N
XLogP2.79
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.82
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane (CID 140850911) is 2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ncc2nc(Cl)ncc21.
What is the InChIKey of 2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is ASDOWPIJDLWGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4OSi/c1-18(2,3)5-4-17-8-16-10-7-13-11(12)15-9(10)6-14-16/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 284.82 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140850911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).