tert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane

C13H21ClN4OSi — CID 169448663

IUPACtert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1ncc2c(Cl)ncnc21
InChIInChI=1S/C13H21ClN4OSi/c1-13(2,3)20(4,5)19-7-6-18-12-10(8-17-18)11(14)15-9-16-12/h8-9H,6-7H2,1-5H3
InChIKeyWIUGHZNYIUEVGN-UHFFFAOYSA-N
MW312.88 g/mol
LogP3.50
Rot. Bonds4

About tert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane

tert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane (PubChem CID 169448663) has the molecular formula C13H21ClN4OSi and a molecular weight of 312.88 g/mol. Its IUPAC name is tert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane
PubChem CID169448663
Molecular FormulaC13H21ClN4OSi
Molecular Weight312.88 g/mol
Exact Mass312.12
IUPAC Nametert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1ncc2c(Cl)ncnc21
InChIInChI=1S/C13H21ClN4OSi/c1-13(2,3)20(4,5)19-7-6-18-12-10(8-17-18)11(14)15-9-16-12/h8-9H,6-7H2,1-5H3
InChIKeyWIUGHZNYIUEVGN-UHFFFAOYSA-N
XLogP3.50
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.88
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine
CID 219751
4-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine
CID 653309
2-[(6-Chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 227483
1-tert-butyl-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 43154807
4-Chloro-2-methylpyrazolo[3,4-d]pyrimidin-6-amine
CID 21603068
4-Chloro-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 76310493
4-Chloro-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 76335917
4,6-dichloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine
CID 222247
2-(4-chloro-1H-pyrazolo(3,4-d)pyrimidin-1-yl)ethan-1-ol
CID 15269873
4-Chloro-1,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidine
CID 24903597
4,6-dichloro-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidine
CID 42609352
4,6-Dichloro-1-ethyl-1H-pyrazolo[3,4-d]pyrimidine
CID 58345958

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane (CID 169448663) is tert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCn1ncc2c(Cl)ncnc21.
What is the InChIKey of tert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane?
The InChIKey is WIUGHZNYIUEVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4OSi/c1-13(2,3)20(4,5)19-7-6-18-12-10(8-17-18)11(14)15-9-16-12/h8-9H,6-7H2,1-5H3.
What are the key properties of tert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane?
tert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane has a molecular weight of 312.88 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane is sourced from PubChem (CID 169448663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).