2-(2,3-dimethoxyphenyl)-9-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide

C22H21N5O5 — CID 18582767

IUPAC2-(2,3-dimethoxyphenyl)-9-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc(OC)c3OC)nc21
InChIInChI=1S/C22H21N5O5/c1-4-32-14-10-6-5-9-13(14)27-21-17(25-22(27)29)16(19(23)28)24-20(26-21)12-8-7-11-15(30-2)18(12)31-3/h5-11H,4H2,1-3H3,(H2,23,28)(H,25,29)
InChIKeyGMNYAQSWWYVAMW-UHFFFAOYSA-N
MW435.44 g/mol
LogP2.29
Rot. Bonds7

About 2-(2,3-dimethoxyphenyl)-9-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide

2-(2,3-dimethoxyphenyl)-9-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 18582767) has the molecular formula C22H21N5O5 and a molecular weight of 435.44 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-9-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-9-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID18582767
Molecular FormulaC22H21N5O5
Molecular Weight435.44 g/mol
Exact Mass435.15
IUPAC Name2-(2,3-dimethoxyphenyl)-9-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc(OC)c3OC)nc21
InChIInChI=1S/C22H21N5O5/c1-4-32-14-10-6-5-9-13(14)27-21-17(25-22(27)29)16(19(23)28)24-20(26-21)12-8-7-11-15(30-2)18(12)31-3/h5-11H,4H2,1-3H3,(H2,23,28)(H,25,29)
InChIKeyGMNYAQSWWYVAMW-UHFFFAOYSA-N
XLogP2.29
TPSA134.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(2,3-dimethoxyphenyl)-9-(2-ethoxyphenyl)-8-oxo-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-(2,3-dimethoxyphenyl)-9-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-9-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide (CID 18582767) is 2-(2,3-dimethoxyphenyl)-9-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-9-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-9-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide is CCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc(OC)c3OC)nc21.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-9-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is GMNYAQSWWYVAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O5/c1-4-32-14-10-6-5-9-13(14)27-21-17(25-22(27)29)16(19(23)28)24-20(26-21)12-8-7-11-15(30-2)18(12)31-3/h5-11H,4H2,1-3H3,(H2,23,28)(H,25,29).
What are the key properties of 2-(2,3-dimethoxyphenyl)-9-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide?
2-(2,3-dimethoxyphenyl)-9-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 435.44 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-9-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 18582767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).