tert-butyl-dimethyl-(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)oxysilane

C18H29N3OSi — CID 90093274

IUPACtert-butyl-dimethyl-(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC(n2ccc3cncnc32)CC1
InChIInChI=1S/C18H29N3OSi/c1-18(2,3)23(4,5)22-16-8-6-15(7-9-16)21-11-10-14-12-19-13-20-17(14)21/h10-13,15-16H,6-9H2,1-5H3
InChIKeyIKPAWMPQEWUZHS-UHFFFAOYSA-N
MW331.54 g/mol
LogP4.94
Rot. Bonds3

About tert-butyl-dimethyl-(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)oxysilane

tert-butyl-dimethyl-(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)oxysilane (PubChem CID 90093274) has the molecular formula C18H29N3OSi and a molecular weight of 331.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)oxysilane
PubChem CID90093274
Molecular FormulaC18H29N3OSi
Molecular Weight331.54 g/mol
Exact Mass331.21
IUPAC Nametert-butyl-dimethyl-(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC(n2ccc3cncnc32)CC1
InChIInChI=1S/C18H29N3OSi/c1-18(2,3)23(4,5)22-16-8-6-15(7-9-16)21-11-10-14-12-19-13-20-17(14)21/h10-13,15-16H,6-9H2,1-5H3
InChIKeyIKPAWMPQEWUZHS-UHFFFAOYSA-N
XLogP4.94
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.54
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol
CID 67142927
(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)methanol
CID 143541297
ethane;7-(5-ethylcyclooctyl)pyrrolo[2,3-d]pyrimidine
CID 143744456
N,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane
CID 162389083
3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentane-1,2-diol
CID 162768100
1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid
CID 155895758
4-[7-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(propylamino)pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carbaldehyde
CID 167609326
N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-1H-pyrazol-5-amine
CID 67010200
[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol
CID 140850623
7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine
CID 155185633
tert-butyl-(4-tert-butylcyclohexyl)oxy-dimethylsilane
CID 11021977
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)oxysilane?
The IUPAC name of tert-butyl-dimethyl-(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)oxysilane (CID 90093274) is tert-butyl-dimethyl-(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)oxysilane?
The canonical SMILES for tert-butyl-dimethyl-(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)oxysilane is CC(C)(C)[Si](C)(C)OC1CCC(n2ccc3cncnc32)CC1.
What is the InChIKey of tert-butyl-dimethyl-(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)oxysilane?
The InChIKey is IKPAWMPQEWUZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OSi/c1-18(2,3)23(4,5)22-16-8-6-15(7-9-16)21-11-10-14-12-19-13-20-17(14)21/h10-13,15-16H,6-9H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)oxysilane?
tert-butyl-dimethyl-(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)oxysilane has a molecular weight of 331.54 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)oxysilane is sourced from PubChem (CID 90093274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).