trimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane

C16H22N4OSi — CID 141424330

IUPACtrimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ccc2c(-n3cccc3)ncnc21
InChIInChI=1S/C16H22N4OSi/c1-22(2,3)11-10-21-13-20-9-6-14-15(17-12-18-16(14)20)19-7-4-5-8-19/h4-9,12H,10-11,13H2,1-3H3
InChIKeyZLPMCNKAIHTNEY-UHFFFAOYSA-N
MW314.46 g/mol
LogP3.53
Rot. Bonds6

About trimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane

trimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane (PubChem CID 141424330) has the molecular formula C16H22N4OSi and a molecular weight of 314.46 g/mol. Its IUPAC name is trimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
PubChem CID141424330
Molecular FormulaC16H22N4OSi
Molecular Weight314.46 g/mol
Exact Mass314.16
IUPAC Nametrimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ccc2c(-n3cccc3)ncnc21
InChIInChI=1S/C16H22N4OSi/c1-22(2,3)11-10-21-13-20-9-6-14-15(17-12-18-16(14)20)19-7-4-5-8-19/h4-9,12H,10-11,13H2,1-3H3
InChIKeyZLPMCNKAIHTNEY-UHFFFAOYSA-N
XLogP3.53
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 53.53
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

trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 59420154
7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 70983690
(3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
CID 66765875
2-[[4-(1,7-diazaspiro[3.4]octan-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 172817129
trimethyl-[2-[(4-pyrazol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
CID 163832201
4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrol-3-amine
CID 141450640
N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine
CID 141355610
trimethyl-[2-(pyrrolo[2,3-d]pyrimidin-7-ylmethoxy)ethyl]silane
CID 58172492
5-bromo-N-methyl-N-[1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]pyrazin-2-amine
CID 87139795
2-[3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-2H-1,3-thiazol-2-yl]pentanenitrile
CID 174145335
(3aS,7aS)-3a-methyl-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-carbonitrile
CID 152620993
2-isocyano-N,N-dimethyl-2-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]ethenamine
CID 159253880

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane (CID 141424330) is trimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane is C[Si](C)(C)CCOCn1ccc2c(-n3cccc3)ncnc21.
What is the InChIKey of trimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane?
The InChIKey is ZLPMCNKAIHTNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OSi/c1-22(2,3)11-10-21-13-20-9-6-14-15(17-12-18-16(14)20)19-7-4-5-8-19/h4-9,12H,10-11,13H2,1-3H3.
What are the key properties of trimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane?
trimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane has a molecular weight of 314.46 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane is sourced from PubChem (CID 141424330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).