5-(2-fluoro-4-pyridinyl)-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine

C19H26FN5OSi — CID 67331856

IUPAC5-(2-fluoro-4-pyridinyl)-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ncnc2c1c(-c1ccnc(F)c1)cn2COCC[Si](C)(C)C
InChIInChI=1S/C19H26FN5OSi/c1-24(2)18-17-15(14-6-7-21-16(20)10-14)11-25(19(17)23-12-22-18)13-26-8-9-27(3,4)5/h6-7,10-12H,8-9,13H2,1-5H3
InChIKeyXNWDSDBNDFBUEW-UHFFFAOYSA-N
MW387.54 g/mol
LogP4.01
Rot. Bonds7

About 5-(2-fluoro-4-pyridinyl)-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine

5-(2-fluoro-4-pyridinyl)-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 67331856) has the molecular formula C19H26FN5OSi and a molecular weight of 387.54 g/mol. Its IUPAC name is 5-(2-fluoro-4-pyridinyl)-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-fluoro-4-pyridinyl)-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID67331856
Molecular FormulaC19H26FN5OSi
Molecular Weight387.54 g/mol
Exact Mass387.19
IUPAC Name5-(2-fluoro-4-pyridinyl)-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ncnc2c1c(-c1ccnc(F)c1)cn2COCC[Si](C)(C)C
InChIInChI=1S/C19H26FN5OSi/c1-24(2)18-17-15(14-6-7-21-16(20)10-14)11-25(19(17)23-12-22-18)13-26-8-9-27(3,4)5/h6-7,10-12H,8-9,13H2,1-5H3
InChIKeyXNWDSDBNDFBUEW-UHFFFAOYSA-N
XLogP4.01
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.54
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-pyridinyl)-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(2-fluoro-4-pyridinyl)-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 67331856) is 5-(2-fluoro-4-pyridinyl)-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-fluoro-4-pyridinyl)-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(2-fluoro-4-pyridinyl)-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine is CN(C)c1ncnc2c1c(-c1ccnc(F)c1)cn2COCC[Si](C)(C)C.
What is the InChIKey of 5-(2-fluoro-4-pyridinyl)-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is XNWDSDBNDFBUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5OSi/c1-24(2)18-17-15(14-6-7-21-16(20)10-14)11-25(19(17)23-12-22-18)13-26-8-9-27(3,4)5/h6-7,10-12H,8-9,13H2,1-5H3.
What are the key properties of 5-(2-fluoro-4-pyridinyl)-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
5-(2-fluoro-4-pyridinyl)-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 387.54 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-pyridinyl)-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 67331856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).