2-[(2-chloro-5-fluoro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane

C13H19ClFN3O2Si — CID 140943514

IUPAC2-[(2-chloro-5-fluoro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1nc(Cl)nc2c1c(F)cn2COCC[Si](C)(C)C
InChIInChI=1S/C13H19ClFN3O2Si/c1-19-12-10-9(15)7-18(11(10)16-13(14)17-12)8-20-5-6-21(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyGMHOEZXTTIHMPG-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.54
Rot. Bonds6

About 2-[(2-chloro-5-fluoro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane

2-[(2-chloro-5-fluoro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane (PubChem CID 140943514) has the molecular formula C13H19ClFN3O2Si and a molecular weight of 331.85 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluoro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2-chloro-5-fluoro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
PubChem CID140943514
Molecular FormulaC13H19ClFN3O2Si
Molecular Weight331.85 g/mol
Exact Mass331.09
IUPAC Name2-[(2-chloro-5-fluoro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1nc(Cl)nc2c1c(F)cn2COCC[Si](C)(C)C
InChIInChI=1S/C13H19ClFN3O2Si/c1-19-12-10-9(15)7-18(11(10)16-13(14)17-12)8-20-5-6-21(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyGMHOEZXTTIHMPG-UHFFFAOYSA-N
XLogP3.54
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.54
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

5-bromo-4-methoxy-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 71299223
2-[(4-Methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol
CID 3010389
4-Methoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbothioamide
CID 10494156
4-Ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 10564387
4-Methoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 10635190
7-(Ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbothioamide
CID 10730472
4-Ethoxy-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbothioamide
CID 10755209
7-(Ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 10847159
4-Ethoxy-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 10848002
4-methoxy-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 91810228
2-chloro-4-ethoxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 126482508
2-[[2-Chloro-4-methoxy-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 140943574

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluoro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(2-chloro-5-fluoro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane (CID 140943514) is 2-[(2-chloro-5-fluoro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(2-chloro-5-fluoro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(2-chloro-5-fluoro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane is COc1nc(Cl)nc2c1c(F)cn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[(2-chloro-5-fluoro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is GMHOEZXTTIHMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN3O2Si/c1-19-12-10-9(15)7-18(11(10)16-13(14)17-12)8-20-5-6-21(2,3)4/h7H,5-6,8H2,1-4H3.
What are the key properties of 2-[(2-chloro-5-fluoro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?
2-[(2-chloro-5-fluoro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 331.85 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluoro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140943514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).