2-(4-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide

C20H17N5O3 — CID 20854913

IUPAC2-(4-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
SMILESCCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C20H17N5O3/c1-2-28-14-10-8-12(9-11-14)18-22-15(17(21)26)16-19(24-18)25(20(27)23-16)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,21,26)(H,23,27)
InChIKeyRHRGGIWXXFWVTL-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.27
Rot. Bonds5

About 2-(4-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide

2-(4-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide (PubChem CID 20854913) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
PubChem CID20854913
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name2-(4-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
SMILESCCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C20H17N5O3/c1-2-28-14-10-8-12(9-11-14)18-22-15(17(21)26)16-19(24-18)25(20(27)23-16)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,21,26)(H,23,27)
InChIKeyRHRGGIWXXFWVTL-UHFFFAOYSA-N
XLogP2.27
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide 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 2-(4-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide (CID 20854913) is 2-(4-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide is CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide?
The InChIKey is RHRGGIWXXFWVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-2-28-14-10-8-12(9-11-14)18-22-15(17(21)26)16-19(24-18)25(20(27)23-16)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,21,26)(H,23,27).
What are the key properties of 2-(4-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide?
2-(4-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide is sourced from PubChem (CID 20854913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).