4-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

C17H22BrN5OSi — CID 58395944

IUPAC4-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESC[Si](C)(C)CCOCn1cc(-c2ccnc(N)n2)c2cc(Br)cnc21
InChIInChI=1S/C17H22BrN5OSi/c1-25(2,3)7-6-24-11-23-10-14(15-4-5-20-17(19)22-15)13-8-12(18)9-21-16(13)23/h4-5,8-10H,6-7,11H2,1-3H3,(H2,19,20,22)
InChIKeyJOAZEOFKOMRIAA-UHFFFAOYSA-N
MW420.39 g/mol
LogP4.15
Rot. Bonds6

About 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

4-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 58395944) has the molecular formula C17H22BrN5OSi and a molecular weight of 420.39 g/mol. Its IUPAC name is 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
PubChem CID58395944
Molecular FormulaC17H22BrN5OSi
Molecular Weight420.39 g/mol
Exact Mass419.08
IUPAC Name4-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESC[Si](C)(C)CCOCn1cc(-c2ccnc(N)n2)c2cc(Br)cnc21
InChIInChI=1S/C17H22BrN5OSi/c1-25(2,3)7-6-24-11-23-10-14(15-4-5-20-17(19)22-15)13-8-12(18)9-21-16(13)23/h4-5,8-10H,6-7,11H2,1-3H3,(H2,19,20,22)
InChIKeyJOAZEOFKOMRIAA-UHFFFAOYSA-N
XLogP4.15
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (CID 58395944) is 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is C[Si](C)(C)CCOCn1cc(-c2ccnc(N)n2)c2cc(Br)cnc21.
What is the InChIKey of 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is JOAZEOFKOMRIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5OSi/c1-25(2,3)7-6-24-11-23-10-14(15-4-5-20-17(19)22-15)13-8-12(18)9-21-16(13)23/h4-5,8-10H,6-7,11H2,1-3H3,(H2,19,20,22).
What are the key properties of 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
4-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 420.39 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 58395944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).