2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane

C12H18Cl2N4OSi — CID 142339206

IUPAC2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane
SMILESCc1nc2c(Cl)nc(Cl)nc2n1COCC[Si](C)(C)C
InChIInChI=1S/C12H18Cl2N4OSi/c1-8-15-9-10(13)16-12(14)17-11(9)18(8)7-19-5-6-20(2,3)4/h5-7H2,1-4H3
InChIKeyQRGMLYWALNZAPQ-UHFFFAOYSA-N
MW333.30 g/mol
LogP3.75
Rot. Bonds5

About 2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane

2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane (PubChem CID 142339206) has the molecular formula C12H18Cl2N4OSi and a molecular weight of 333.30 g/mol. Its IUPAC name is 2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane
PubChem CID142339206
Molecular FormulaC12H18Cl2N4OSi
Molecular Weight333.30 g/mol
Exact Mass332.06
IUPAC Name2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane
SMILESCc1nc2c(Cl)nc(Cl)nc2n1COCC[Si](C)(C)C
InChIInChI=1S/C12H18Cl2N4OSi/c1-8-15-9-10(13)16-12(14)17-11(9)18(8)7-19-5-6-20(2,3)4/h5-7H2,1-4H3
InChIKeyQRGMLYWALNZAPQ-UHFFFAOYSA-N
XLogP3.75
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.75
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-chloro-8-methyl-N-(2-methylsulfonylphenyl)-9-(2-trimethylsilylethoxymethyl)purin-6-amine
CID 142339198
2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86679621
2-chloro-5-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 133061792
2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 140923779
2-[(4-chloro-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 77230728
2-[(2-chloro-6-methylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
CID 164881290
4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride
CID 86761667
2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140879638
2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 15471535
[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol
CID 140769621
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 153484145

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane (CID 142339206) is 2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane is Cc1nc2c(Cl)nc(Cl)nc2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is QRGMLYWALNZAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N4OSi/c1-8-15-9-10(13)16-12(14)17-11(9)18(8)7-19-5-6-20(2,3)4/h5-7H2,1-4H3.
What are the key properties of 2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane?
2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 333.30 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 142339206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).