2-[(2,4-dichloro-5-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane

C17H20Cl2N4OSi — CID 86679650

IUPAC2-[(2,4-dichloro-5-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccccn2)c2c(Cl)nc(Cl)nc21
InChIInChI=1S/C17H20Cl2N4OSi/c1-25(2,3)9-8-24-11-23-10-12(13-6-4-5-7-20-13)14-15(18)21-17(19)22-16(14)23/h4-7,10H,8-9,11H2,1-3H3
InChIKeyGQXVBEBJEKAWBM-UHFFFAOYSA-N
MW395.37 g/mol
LogP5.11
Rot. Bonds6

About 2-[(2,4-dichloro-5-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane

2-[(2,4-dichloro-5-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane (PubChem CID 86679650) has the molecular formula C17H20Cl2N4OSi and a molecular weight of 395.37 g/mol. Its IUPAC name is 2-[(2,4-dichloro-5-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2,4-dichloro-5-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
PubChem CID86679650
Molecular FormulaC17H20Cl2N4OSi
Molecular Weight395.37 g/mol
Exact Mass394.08
IUPAC Name2-[(2,4-dichloro-5-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccccn2)c2c(Cl)nc(Cl)nc21
InChIInChI=1S/C17H20Cl2N4OSi/c1-25(2,3)9-8-24-11-23-10-12(13-6-4-5-7-20-13)14-15(18)21-17(19)22-16(14)23/h4-7,10H,8-9,11H2,1-3H3
InChIKeyGQXVBEBJEKAWBM-UHFFFAOYSA-N
XLogP5.11
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.37
LogP ≤ 55.11
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

4-Chloro-5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 2049536
6-(4-chlorobenzyl)-7-(3,3-dimethylbutyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 9895628
6-(4-chlorobenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444205
4-Chloranyl-7-[(4-Chloranyl-3,5-Dimethyl-Pyridin-2-Yl)methyl]pyrrolo[2,3-D]pyrimidin-2-Amine
CID 11324720
6-(4-chlorobenzyl)-7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444199
6-(4-chlorobenzyl)-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44568640
6-(4-Chloro-benzyl)-7-(2-cyclopentyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44568669
7-(3-Chlorophenyl)-5-phenyl-4-piperidylpyrrolo[2,3-d]pyrimidine
CID 4376944
5,6-Dimethyl-7-(1-phenyl-ethyl)-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
CID 10688751
[3-(3,5-Dichloro-pyridin-2-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-(2-methoxy-ethyl)-propyl-amine
CID 44392707
[3-(3,5-Dichloro-pyridin-2-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-bis-(2-methoxy-ethyl)-amine
CID 44392723
6-(4-chlorobenzyl)-7-(4,4-dimethylpentyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44568638

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichloro-5-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(2,4-dichloro-5-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane (CID 86679650) is 2-[(2,4-dichloro-5-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(2,4-dichloro-5-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(2,4-dichloro-5-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2ccccn2)c2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2-[(2,4-dichloro-5-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is GQXVBEBJEKAWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4OSi/c1-25(2,3)9-8-24-11-23-10-12(13-6-4-5-7-20-13)14-15(18)21-17(19)22-16(14)23/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of 2-[(2,4-dichloro-5-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?
2-[(2,4-dichloro-5-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 395.37 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichloro-5-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 86679650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).