4-[6-(2-methoxyethylamino)-9-propan-2-ylpurin-2-yl]-N-methylbenzamide

C19H24N6O2 — CID 23645299

IUPAC4-[6-(2-methoxyethylamino)-9-propan-2-ylpurin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nc(NCCOC)c3ncn(C(C)C)c3n2)cc1
InChIInChI=1S/C19H24N6O2/c1-12(2)25-11-22-15-17(21-9-10-27-4)23-16(24-18(15)25)13-5-7-14(8-6-13)19(26)20-3/h5-8,11-12H,9-10H2,1-4H3,(H,20,26)(H,21,23,24)
InChIKeyAJMJJTGESUBGFD-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.49
Rot. Bonds7

About 4-[6-(2-methoxyethylamino)-9-propan-2-ylpurin-2-yl]-N-methylbenzamide

4-[6-(2-methoxyethylamino)-9-propan-2-ylpurin-2-yl]-N-methylbenzamide (PubChem CID 23645299) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[6-(2-methoxyethylamino)-9-propan-2-ylpurin-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[6-(2-methoxyethylamino)-9-propan-2-ylpurin-2-yl]-N-methylbenzamide
PubChem CID23645299
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name4-[6-(2-methoxyethylamino)-9-propan-2-ylpurin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nc(NCCOC)c3ncn(C(C)C)c3n2)cc1
InChIInChI=1S/C19H24N6O2/c1-12(2)25-11-22-15-17(21-9-10-27-4)23-16(24-18(15)25)13-5-7-14(8-6-13)19(26)20-3/h5-8,11-12H,9-10H2,1-4H3,(H,20,26)(H,21,23,24)
InChIKeyAJMJJTGESUBGFD-UHFFFAOYSA-N
XLogP2.49
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[6-(2-methoxyethylamino)-9-propan-2-ylpurin-2-yl]-N-methylbenzamide 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 4-[6-(2-methoxyethylamino)-9-propan-2-ylpurin-2-yl]-N-methylbenzamide?
The IUPAC name of 4-[6-(2-methoxyethylamino)-9-propan-2-ylpurin-2-yl]-N-methylbenzamide (CID 23645299) is 4-[6-(2-methoxyethylamino)-9-propan-2-ylpurin-2-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[6-(2-methoxyethylamino)-9-propan-2-ylpurin-2-yl]-N-methylbenzamide?
The canonical SMILES for 4-[6-(2-methoxyethylamino)-9-propan-2-ylpurin-2-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2nc(NCCOC)c3ncn(C(C)C)c3n2)cc1.
What is the InChIKey of 4-[6-(2-methoxyethylamino)-9-propan-2-ylpurin-2-yl]-N-methylbenzamide?
The InChIKey is AJMJJTGESUBGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-12(2)25-11-22-15-17(21-9-10-27-4)23-16(24-18(15)25)13-5-7-14(8-6-13)19(26)20-3/h5-8,11-12H,9-10H2,1-4H3,(H,20,26)(H,21,23,24).
What are the key properties of 4-[6-(2-methoxyethylamino)-9-propan-2-ylpurin-2-yl]-N-methylbenzamide?
4-[6-(2-methoxyethylamino)-9-propan-2-ylpurin-2-yl]-N-methylbenzamide has a molecular weight of 368.44 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-methoxyethylamino)-9-propan-2-ylpurin-2-yl]-N-methylbenzamide is sourced from PubChem (CID 23645299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).