2-amino-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-[2-(pyridine-2-carbonyl)hydrazinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

C22H31N7O4Si — CID 175256981

About 2-amino-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-[2-(pyridine-2-carbonyl)hydrazinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

2-amino-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-[2-(pyridine-2-carbonyl)hydrazinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 175256981) has the molecular formula C22H31N7O4Si and a molecular weight of 485.62 g/mol. Its IUPAC name is 2-amino-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-[2-(pyridine-2-carbonyl)hydrazinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

• Compound Name: 2-amino-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-[2-(pyridine-2-carbonyl)hydrazinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
• PubChem CID: 175256981
• Molecular Formula: C22H31N7O4Si
• Molecular Weight: 485.62 g/mol
• Exact Mass: 485.22
• IUPAC Name: 2-amino-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-[2-(pyridine-2-carbonyl)hydrazinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
• SMILES: Cc1c(C(=O)O)n(CCO[Si](C)(C)C(C)(C)C)c2nc(N)nc(NNC(=O)c3ccccn3)c12
• InChI: InChI=1S/C22H31N7O4Si/c1-13-15-17(27-28-19(30)14-9-7-8-10-24-14)25-21(23)26-18(15)29(16(13)20(31)32)11-12-33-34(5,6)22(2,3)4/h7-10H,11-12H2,1-6H3,(H,28,30)(H,31,32)(H3,23,25,26,27)
• InChIKey: CGPCYRWAQVOQCW-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 157.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.62
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-[2-(pyridine-2-carbonyl)hydrazinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?

The IUPAC name of 2-amino-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-[2-(pyridine-2-carbonyl)hydrazinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid (CID 175256981) is 2-amino-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-[2-(pyridine-2-carbonyl)hydrazinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid.

What is the SMILES notation for 2-amino-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-[2-(pyridine-2-carbonyl)hydrazinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?

The canonical SMILES for 2-amino-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-[2-(pyridine-2-carbonyl)hydrazinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)n(CCO[Si](C)(C)C(C)(C)C)c2nc(N)nc(NNC(=O)c3ccccn3)c12.

What is the InChIKey of 2-amino-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-[2-(pyridine-2-carbonyl)hydrazinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?

The InChIKey is CGPCYRWAQVOQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O4Si/c1-13-15-17(27-28-19(30)14-9-7-8-10-24-14)25-21(23)26-18(15)29(16(13)20(31)32)11-12-33-34(5,6)22(2,3)4/h7-10H,11-12H2,1-6H3,(H,28,30)(H,31,32)(H3,23,25,26,27).

What are the key properties of 2-amino-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-[2-(pyridine-2-carbonyl)hydrazinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?

2-amino-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-[2-(pyridine-2-carbonyl)hydrazinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 485.62 g/mol, XLogP of 3.19, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-[2-(pyridine-2-carbonyl)hydrazinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 175256981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).