2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane

C11H17ClN4OSi — CID 140879638

IUPAC2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2cnc(Cl)nc21
InChIInChI=1S/C11H17ClN4OSi/c1-18(2,3)5-4-17-8-16-10-9(7-14-16)6-13-11(12)15-10/h6-7H,4-5,8H2,1-3H3
InChIKeyFOUHITPKOWOLEX-UHFFFAOYSA-N
MW284.82 g/mol
LogP2.79
Rot. Bonds5

About 2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane

2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 140879638) has the molecular formula C11H17ClN4OSi and a molecular weight of 284.82 g/mol. Its IUPAC name is 2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID140879638
Molecular FormulaC11H17ClN4OSi
Molecular Weight284.82 g/mol
Exact Mass284.09
IUPAC Name2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2cnc(Cl)nc21
InChIInChI=1S/C11H17ClN4OSi/c1-18(2,3)5-4-17-8-16-10-9(7-14-16)6-13-11(12)15-10/h6-7H,4-5,8H2,1-3H3
InChIKeyFOUHITPKOWOLEX-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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Related Compounds

2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140850911
6-chloro-1-ethylpyrazolo[3,4-d]pyrimidine
CID 58056412
[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine
CID 171465915
2-[(6-chloro-5-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 176896044
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 140850912
trimethyl-[2-(pyrazolo[5,4-c]pyridin-1-ylmethoxy)ethyl]silane
CID 154005449
2-[(2-chloro-6-methylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
CID 164881290
2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 171627565
2-chloro-5-fluoro-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]pyrimidin-4-amine
CID 162440754
2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 177341411
2-[(7-bromopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 140869978

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane (CID 140879638) is 2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ncc2cnc(Cl)nc21.
What is the InChIKey of 2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is FOUHITPKOWOLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4OSi/c1-18(2,3)5-4-17-8-16-10-9(7-14-16)6-13-11(12)15-10/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(6-chloropyrazolo[3,4-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-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140879638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).