2-[[7-bromo-2-(2-fluoro-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane

C17H20BrFN4OSi — CID 164881021

IUPAC2-[[7-bromo-2-(2-fluoro-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(Br)c2nc(-c3cccnc3F)ncc21
InChIInChI=1S/C17H20BrFN4OSi/c1-25(2,3)8-7-24-11-23-10-13(18)15-14(23)9-21-17(22-15)12-5-4-6-20-16(12)19/h4-6,9-10H,7-8,11H2,1-3H3
InChIKeyUJWXLOHSGHVUQT-UHFFFAOYSA-N
MW423.36 g/mol
LogP4.71
Rot. Bonds6

About 2-[[7-bromo-2-(2-fluoro-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane

2-[[7-bromo-2-(2-fluoro-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164881021) has the molecular formula C17H20BrFN4OSi and a molecular weight of 423.36 g/mol. Its IUPAC name is 2-[[7-bromo-2-(2-fluoro-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[7-bromo-2-(2-fluoro-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane
PubChem CID164881021
Molecular FormulaC17H20BrFN4OSi
Molecular Weight423.36 g/mol
Exact Mass422.06
IUPAC Name2-[[7-bromo-2-(2-fluoro-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(Br)c2nc(-c3cccnc3F)ncc21
InChIInChI=1S/C17H20BrFN4OSi/c1-25(2,3)8-7-24-11-23-10-13(18)15-14(23)9-21-17(22-15)12-5-4-6-20-16(12)19/h4-6,9-10H,7-8,11H2,1-3H3
InChIKeyUJWXLOHSGHVUQT-UHFFFAOYSA-N
XLogP4.71
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.36
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-[[2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl]silane
CID 164880991
trimethyl-[2-[(3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl]silane
CID 170762612
2-[[7-(4-chlorophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane
CID 164881340
2-[[7-bromo-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
CID 157362664
2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 86642309
2-[(3-bromo-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane
CID 141466960
2-[(3-bromo-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 141388912
2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175192974
2-[(3-bromo-5-fluoro-6-isocyanoindol-1-yl)methoxy]ethyl-trimethylsilane
CID 167375991
2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 86688618
2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 164594211
2-[(5-bromo-4-phenoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 154675122

Frequently Asked Questions

What is the IUPAC name of 2-[[7-bromo-2-(2-fluoro-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[7-bromo-2-(2-fluoro-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane (CID 164881021) is 2-[[7-bromo-2-(2-fluoro-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[7-bromo-2-(2-fluoro-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[7-bromo-2-(2-fluoro-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(Br)c2nc(-c3cccnc3F)ncc21.
What is the InChIKey of 2-[[7-bromo-2-(2-fluoro-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is UJWXLOHSGHVUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN4OSi/c1-25(2,3)8-7-24-11-23-10-13(18)15-14(23)9-21-17(22-15)12-5-4-6-20-16(12)19/h4-6,9-10H,7-8,11H2,1-3H3.
What are the key properties of 2-[[7-bromo-2-(2-fluoro-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane?
2-[[7-bromo-2-(2-fluoro-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 423.36 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-bromo-2-(2-fluoro-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164881021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).