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

C17H22ClN5OSi — CID 58395842

IUPAC4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine
SMILESC[Si](C)(C)CCOCn1c(-c2ccnc(N)n2)cc2c(Cl)ccnc21
InChIInChI=1S/C17H22ClN5OSi/c1-25(2,3)9-8-24-11-23-15(14-5-7-21-17(19)22-14)10-12-13(18)4-6-20-16(12)23/h4-7,10H,8-9,11H2,1-3H3,(H2,19,21,22)
InChIKeyONTBIQFKWJAIFM-UHFFFAOYSA-N
MW375.94 g/mol
LogP4.04
Rot. Bonds6

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

4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine (PubChem CID 58395842) has the molecular formula C17H22ClN5OSi and a molecular weight of 375.94 g/mol. Its IUPAC name is 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine
PubChem CID58395842
Molecular FormulaC17H22ClN5OSi
Molecular Weight375.94 g/mol
Exact Mass375.13
IUPAC Name4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine
SMILESC[Si](C)(C)CCOCn1c(-c2ccnc(N)n2)cc2c(Cl)ccnc21
InChIInChI=1S/C17H22ClN5OSi/c1-25(2,3)9-8-24-11-23-15(14-5-7-21-17(19)22-14)10-12-13(18)4-6-20-16(12)23/h4-7,10H,8-9,11H2,1-3H3,(H2,19,21,22)
InChIKeyONTBIQFKWJAIFM-UHFFFAOYSA-N
XLogP4.04
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.94
LogP ≤ 54.04
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-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine (CID 58395842) is 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine is C[Si](C)(C)CCOCn1c(-c2ccnc(N)n2)cc2c(Cl)ccnc21.
What is the InChIKey of 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine?
The InChIKey is ONTBIQFKWJAIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5OSi/c1-25(2,3)9-8-24-11-23-15(14-5-7-21-17(19)22-14)10-12-13(18)4-6-20-16(12)23/h4-7,10H,8-9,11H2,1-3H3,(H2,19,21,22).
What are the key properties of 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine?
4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine has a molecular weight of 375.94 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 58395842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).