2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane

C12H17Cl2N3OSi — CID 140923779

IUPAC2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(Cl)cc2c(Cl)ncnc21
InChIInChI=1S/C12H17Cl2N3OSi/c1-19(2,3)5-4-18-8-17-10(13)6-9-11(14)15-7-16-12(9)17/h6-7H,4-5,8H2,1-3H3
InChIKeyFHWWERGVCOANSV-UHFFFAOYSA-N
MW318.28 g/mol
LogP4.05
Rot. Bonds5

About 2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane

2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane (PubChem CID 140923779) has the molecular formula C12H17Cl2N3OSi and a molecular weight of 318.28 g/mol. Its IUPAC name is 2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
PubChem CID140923779
Molecular FormulaC12H17Cl2N3OSi
Molecular Weight318.28 g/mol
Exact Mass317.05
IUPAC Name2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(Cl)cc2c(Cl)ncnc21
InChIInChI=1S/C12H17Cl2N3OSi/c1-19(2,3)5-4-18-8-17-10(13)6-9-11(14)15-7-16-12(9)17/h6-7H,4-5,8H2,1-3H3
InChIKeyFHWWERGVCOANSV-UHFFFAOYSA-N
XLogP4.05
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(4-chloro-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 77230728
4-chloro-6-methyl-7-(2-methylsulfanylethoxymethyl)pyrrolo[2,3-d]pyrimidine
CID 171513217
[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol
CID 140769621
2-[[4-chloro-6-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethyl-λ4-sulfane
CID 171513234
6-chloro-2-(pyridin-4-ylmethoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 153351965
6-chloro-3-[(4-hydroxypiperidin-4-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 151051356
4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CID 152679074
2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 174596817
2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 162760836
3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide
CID 86688715
2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 58368344
2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane
CID 142339206

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane (CID 140923779) is 2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(Cl)cc2c(Cl)ncnc21.
What is the InChIKey of 2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is FHWWERGVCOANSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3OSi/c1-19(2,3)5-4-18-8-17-10(13)6-9-11(14)15-7-16-12(9)17/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?
2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 318.28 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140923779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).