5-(2-amino-4-pyridinyl)-6-(3-fluorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine

C21H21FN4Si — CID 68894751

IUPAC5-(2-amino-4-pyridinyl)-6-(3-fluorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine
SMILESC[Si](C)(C)C#Cc1cc(-c2ccnc(N)c2)c(-c2cccc(F)c2)nc1N
InChIInChI=1S/C21H21FN4Si/c1-27(2,3)10-8-16-12-18(14-7-9-25-19(23)13-14)20(26-21(16)24)15-5-4-6-17(22)11-15/h4-7,9,11-13H,1-3H3,(H2,23,25)(H2,24,26)
InChIKeyCRTRAZBCVRCURZ-UHFFFAOYSA-N
MW376.51 g/mol
LogP4.34
Rot. Bonds2

About 5-(2-amino-4-pyridinyl)-6-(3-fluorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine

5-(2-amino-4-pyridinyl)-6-(3-fluorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine (PubChem CID 68894751) has the molecular formula C21H21FN4Si and a molecular weight of 376.51 g/mol. Its IUPAC name is 5-(2-amino-4-pyridinyl)-6-(3-fluorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-amino-4-pyridinyl)-6-(3-fluorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine
PubChem CID68894751
Molecular FormulaC21H21FN4Si
Molecular Weight376.51 g/mol
Exact Mass376.15
IUPAC Name5-(2-amino-4-pyridinyl)-6-(3-fluorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine
SMILESC[Si](C)(C)C#Cc1cc(-c2ccnc(N)c2)c(-c2cccc(F)c2)nc1N
InChIInChI=1S/C21H21FN4Si/c1-27(2,3)10-8-16-12-18(14-7-9-25-19(23)13-14)20(26-21(16)24)15-5-4-6-17(22)11-15/h4-7,9,11-13H,1-3H3,(H2,23,25)(H2,24,26)
InChIKeyCRTRAZBCVRCURZ-UHFFFAOYSA-N
XLogP4.34
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-pyridinyl)-6-(3-fluorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine?
The IUPAC name of 5-(2-amino-4-pyridinyl)-6-(3-fluorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine (CID 68894751) is 5-(2-amino-4-pyridinyl)-6-(3-fluorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine.
What is the SMILES notation for 5-(2-amino-4-pyridinyl)-6-(3-fluorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine?
The canonical SMILES for 5-(2-amino-4-pyridinyl)-6-(3-fluorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine is C[Si](C)(C)C#Cc1cc(-c2ccnc(N)c2)c(-c2cccc(F)c2)nc1N.
What is the InChIKey of 5-(2-amino-4-pyridinyl)-6-(3-fluorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine?
The InChIKey is CRTRAZBCVRCURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4Si/c1-27(2,3)10-8-16-12-18(14-7-9-25-19(23)13-14)20(26-21(16)24)15-5-4-6-17(22)11-15/h4-7,9,11-13H,1-3H3,(H2,23,25)(H2,24,26).
What are the key properties of 5-(2-amino-4-pyridinyl)-6-(3-fluorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine?
5-(2-amino-4-pyridinyl)-6-(3-fluorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine has a molecular weight of 376.51 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-pyridinyl)-6-(3-fluorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine is sourced from PubChem (CID 68894751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).