1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(3-methylphenyl)-5-N-(1-methylpyrrolidin-3-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine

C24H35N7O — CID 91383316

About 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(3-methylphenyl)-5-N-(1-methylpyrrolidin-3-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine

1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(3-methylphenyl)-5-N-(1-methylpyrrolidin-3-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine (PubChem CID 91383316) has the molecular formula C24H35N7O and a molecular weight of 437.59 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(3-methylphenyl)-5-N-(1-methylpyrrolidin-3-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine.

Molecular Properties

• Compound Name: 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(3-methylphenyl)-5-N-(1-methylpyrrolidin-3-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
• PubChem CID: 91383316
• Molecular Formula: C24H35N7O
• Molecular Weight: 437.59 g/mol
• Exact Mass: 437.29
• IUPAC Name: 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(3-methylphenyl)-5-N-(1-methylpyrrolidin-3-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
• SMILES: CCOCCn1nc(CC)c2nc(N(C)C3CCN(C)C3)nc(Nc3cccc(C)c3)c21
• InChI: InChI=1S/C24H35N7O/c1-6-20-21-22(31(28-20)13-14-32-7-2)23(25-18-10-8-9-17(3)15-18)27-24(26-21)30(5)19-11-12-29(4)16-19/h8-10,15,19H,6-7,11-14,16H2,1-5H3,(H,25,26,27)
• InChIKey: FHUOEUSJZABXPZ-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 71.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.59
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(3-methylphenyl)-5-N-(1-methylpyrrolidin-3-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?

The IUPAC name of 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(3-methylphenyl)-5-N-(1-methylpyrrolidin-3-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine (CID 91383316) is 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(3-methylphenyl)-5-N-(1-methylpyrrolidin-3-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine.

What is the SMILES notation for 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(3-methylphenyl)-5-N-(1-methylpyrrolidin-3-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?

The canonical SMILES for 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(3-methylphenyl)-5-N-(1-methylpyrrolidin-3-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine is CCOCCn1nc(CC)c2nc(N(C)C3CCN(C)C3)nc(Nc3cccc(C)c3)c21.

What is the InChIKey of 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(3-methylphenyl)-5-N-(1-methylpyrrolidin-3-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?

The InChIKey is FHUOEUSJZABXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O/c1-6-20-21-22(31(28-20)13-14-32-7-2)23(25-18-10-8-9-17(3)15-18)27-24(26-21)30(5)19-11-12-29(4)16-19/h8-10,15,19H,6-7,11-14,16H2,1-5H3,(H,25,26,27).

What are the key properties of 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(3-methylphenyl)-5-N-(1-methylpyrrolidin-3-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?

1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(3-methylphenyl)-5-N-(1-methylpyrrolidin-3-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine has a molecular weight of 437.59 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-ethoxyethyl)-3-ethyl-5-N-methyl-7-N-(3-methylphenyl)-5-N-(1-methylpyrrolidin-3-yl)pyrazolo[4,5-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 91383316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).