2-(6-methylpyrimidin-4-yl)-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-amine

C23H33N5O2Si — CID 169097868

IUPAC2-(6-methylpyrimidin-4-yl)-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-amine
SMILESCc1cc(-c2cc3cnc(NC4CCOCC4)cc3n2COCC[Si](C)(C)C)ncn1
InChIInChI=1S/C23H33N5O2Si/c1-17-11-20(26-15-25-17)22-12-18-14-24-23(27-19-5-7-29-8-6-19)13-21(18)28(22)16-30-9-10-31(2,3)4/h11-15,19H,5-10,16H2,1-4H3,(H,24,27)
InChIKeyXJPFSVDLCJXYMQ-UHFFFAOYSA-N
MW439.64 g/mol
LogP4.70
Rot. Bonds8

About 2-(6-methylpyrimidin-4-yl)-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-amine

2-(6-methylpyrimidin-4-yl)-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 169097868) has the molecular formula C23H33N5O2Si and a molecular weight of 439.64 g/mol. Its IUPAC name is 2-(6-methylpyrimidin-4-yl)-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name2-(6-methylpyrimidin-4-yl)-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-amine
PubChem CID169097868
Molecular FormulaC23H33N5O2Si
Molecular Weight439.64 g/mol
Exact Mass439.24
IUPAC Name2-(6-methylpyrimidin-4-yl)-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-amine
SMILESCc1cc(-c2cc3cnc(NC4CCOCC4)cc3n2COCC[Si](C)(C)C)ncn1
InChIInChI=1S/C23H33N5O2Si/c1-17-11-20(26-15-25-17)22-12-18-14-24-23(27-19-5-7-29-8-6-19)13-21(18)28(22)16-30-9-10-31(2,3)4/h11-15,19H,5-10,16H2,1-4H3,(H,24,27)
InChIKeyXJPFSVDLCJXYMQ-UHFFFAOYSA-N
XLogP4.70
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.64
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-(6-methylpyrimidin-4-yl)-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of 2-(6-methylpyrimidin-4-yl)-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-amine (CID 169097868) is 2-(6-methylpyrimidin-4-yl)-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for 2-(6-methylpyrimidin-4-yl)-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for 2-(6-methylpyrimidin-4-yl)-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-amine is Cc1cc(-c2cc3cnc(NC4CCOCC4)cc3n2COCC[Si](C)(C)C)ncn1.
What is the InChIKey of 2-(6-methylpyrimidin-4-yl)-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is XJPFSVDLCJXYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2Si/c1-17-11-20(26-15-25-17)22-12-18-14-24-23(27-19-5-7-29-8-6-19)13-21(18)28(22)16-30-9-10-31(2,3)4/h11-15,19H,5-10,16H2,1-4H3,(H,24,27).
What are the key properties of 2-(6-methylpyrimidin-4-yl)-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-amine?
2-(6-methylpyrimidin-4-yl)-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 439.64 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpyrimidin-4-yl)-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 169097868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).