4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrol-3-amine

C16H23N5OSi — CID 141450640

IUPAC4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrol-3-amine
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3c[nH]cc3N)ncnc21
InChIInChI=1S/C16H23N5OSi/c1-23(2,3)7-6-22-11-21-5-4-12-15(19-10-20-16(12)21)13-8-18-9-14(13)17/h4-5,8-10,18H,6-7,11,17H2,1-3H3
InChIKeyHZTKHFANRHUVNH-UHFFFAOYSA-N
MW329.48 g/mol
LogP3.32
Rot. Bonds6

About 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrol-3-amine

4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrol-3-amine (PubChem CID 141450640) has the molecular formula C16H23N5OSi and a molecular weight of 329.48 g/mol. Its IUPAC name is 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrol-3-amine.

Molecular Properties

Compound Name4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrol-3-amine
PubChem CID141450640
Molecular FormulaC16H23N5OSi
Molecular Weight329.48 g/mol
Exact Mass329.17
IUPAC Name4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrol-3-amine
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3c[nH]cc3N)ncnc21
InChIInChI=1S/C16H23N5OSi/c1-23(2,3)7-6-22-11-21-5-4-12-15(19-10-20-16(12)21)13-8-18-9-14(13)17/h4-5,8-10,18H,6-7,11,17H2,1-3H3
InChIKeyHZTKHFANRHUVNH-UHFFFAOYSA-N
XLogP3.32
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', '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 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrol-3-amine?
The IUPAC name of 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrol-3-amine (CID 141450640) is 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrol-3-amine.
What is the SMILES notation for 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrol-3-amine?
The canonical SMILES for 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrol-3-amine is C[Si](C)(C)CCOCn1ccc2c(-c3c[nH]cc3N)ncnc21.
What is the InChIKey of 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrol-3-amine?
The InChIKey is HZTKHFANRHUVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OSi/c1-23(2,3)7-6-22-11-21-5-4-12-15(19-10-20-16(12)21)13-8-18-9-14(13)17/h4-5,8-10,18H,6-7,11,17H2,1-3H3.
What are the key properties of 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrol-3-amine?
4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrol-3-amine has a molecular weight of 329.48 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrol-3-amine is sourced from PubChem (CID 141450640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).