4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

C18H21N5Si — CID 58425566

IUPAC4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESCCc1cc(-c2c[nH]c3ncc(C#C[Si](C)(C)C)cc23)nc(N)n1
InChIInChI=1S/C18H21N5Si/c1-5-13-9-16(23-18(19)22-13)15-11-21-17-14(15)8-12(10-20-17)6-7-24(2,3)4/h8-11H,5H2,1-4H3,(H,20,21)(H2,19,22,23)
InChIKeyKMXXKFUGWWNDJT-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.39
Rot. Bonds2

About 4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 58425566) has the molecular formula C18H21N5Si and a molecular weight of 335.49 g/mol. Its IUPAC name is 4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
PubChem CID58425566
Molecular FormulaC18H21N5Si
Molecular Weight335.49 g/mol
Exact Mass335.16
IUPAC Name4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESCCc1cc(-c2c[nH]c3ncc(C#C[Si](C)(C)C)cc23)nc(N)n1
InChIInChI=1S/C18H21N5Si/c1-5-13-9-16(23-18(19)22-13)15-11-21-17-14(15)8-12(10-20-17)6-7-24(2,3)4/h8-11H,5H2,1-4H3,(H,20,21)(H2,19,22,23)
InChIKeyKMXXKFUGWWNDJT-UHFFFAOYSA-N
XLogP3.39
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.39
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 4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (CID 58425566) is 4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is CCc1cc(-c2c[nH]c3ncc(C#C[Si](C)(C)C)cc23)nc(N)n1.
What is the InChIKey of 4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is KMXXKFUGWWNDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5Si/c1-5-13-9-16(23-18(19)22-13)15-11-21-17-14(15)8-12(10-20-17)6-7-24(2,3)4/h8-11H,5H2,1-4H3,(H,20,21)(H2,19,22,23).
What are the key properties of 4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 335.49 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 58425566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).