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

C21H19N5O3 — CID 3237332

IUPAC2-(2-ethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(C)c3)c2n1
InChIInChI=1S/C21H19N5O3/c1-3-29-15-10-5-4-9-14(15)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)13-8-6-7-12(2)11-13/h4-11H,3H2,1-2H3,(H2,22,27)(H,24,28)
InChIKeyIUGGSBIQZZBAQA-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.58
Rot. Bonds5

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

2-(2-ethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 3237332) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID3237332
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name2-(2-ethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(C)c3)c2n1
InChIInChI=1S/C21H19N5O3/c1-3-29-15-10-5-4-9-14(15)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)13-8-6-7-12(2)11-13/h4-11H,3H2,1-2H3,(H2,22,27)(H,24,28)
InChIKeyIUGGSBIQZZBAQA-UHFFFAOYSA-N
XLogP2.58
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 2-(2-ethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide (CID 3237332) is 2-(2-ethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(2-ethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 2-(2-ethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide is CCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(C)c3)c2n1.
What is the InChIKey of 2-(2-ethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is IUGGSBIQZZBAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-3-29-15-10-5-4-9-14(15)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)13-8-6-7-12(2)11-13/h4-11H,3H2,1-2H3,(H2,22,27)(H,24,28).
What are the key properties of 2-(2-ethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
2-(2-ethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 3237332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).