6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxylic acid

C17H24N4O3Si — CID 69235514

IUPAC6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(Nc2cncnc2)c(C(=O)O)n1
InChIInChI=1S/C17H24N4O3Si/c1-17(2,3)25(4,5)24-10-12-6-7-14(15(21-12)16(22)23)20-13-8-18-11-19-9-13/h6-9,11,20H,10H2,1-5H3,(H,22,23)
InChIKeyYRQCHILJWGFUSR-UHFFFAOYSA-N
MW360.49 g/mol
LogP3.84
Rot. Bonds6

About 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxylic acid

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxylic acid (PubChem CID 69235514) has the molecular formula C17H24N4O3Si and a molecular weight of 360.49 g/mol. Its IUPAC name is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxylic acid
PubChem CID69235514
Molecular FormulaC17H24N4O3Si
Molecular Weight360.49 g/mol
Exact Mass360.16
IUPAC Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(Nc2cncnc2)c(C(=O)O)n1
InChIInChI=1S/C17H24N4O3Si/c1-17(2,3)25(4,5)24-10-12-6-7-14(15(21-12)16(22)23)20-13-8-18-11-19-9-13/h6-9,11,20H,10H2,1-5H3,(H,22,23)
InChIKeyYRQCHILJWGFUSR-UHFFFAOYSA-N
XLogP3.84
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxylic acid (CID 69235514) is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxylic acid is CC(C)(C)[Si](C)(C)OCc1ccc(Nc2cncnc2)c(C(=O)O)n1.
What is the InChIKey of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxylic acid?
The InChIKey is YRQCHILJWGFUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3Si/c1-17(2,3)25(4,5)24-10-12-6-7-14(15(21-12)16(22)23)20-13-8-18-11-19-9-13/h6-9,11,20H,10H2,1-5H3,(H,22,23).
What are the key properties of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxylic acid?
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxylic acid has a molecular weight of 360.49 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 69235514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).