2-(3-ethoxy-2-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide

C20H17N5O4 — CID 135734255

IUPAC2-(3-ethoxy-2-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
SMILESCCOc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4)c3n2)c1O
InChIInChI=1S/C20H17N5O4/c1-2-29-13-10-6-9-12(16(13)26)18-22-14(17(21)27)15-19(24-18)25(20(28)23-15)11-7-4-3-5-8-11/h3-10,26H,2H2,1H3,(H2,21,27)(H,23,28)
InChIKeyYMXWDKVZHCUZEG-UHFFFAOYSA-N
MW391.39 g/mol
LogP1.98
Rot. Bonds5

About 2-(3-ethoxy-2-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide

2-(3-ethoxy-2-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide (PubChem CID 135734255) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is 2-(3-ethoxy-2-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(3-ethoxy-2-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
PubChem CID135734255
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC Name2-(3-ethoxy-2-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
SMILESCCOc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4)c3n2)c1O
InChIInChI=1S/C20H17N5O4/c1-2-29-13-10-6-9-12(16(13)26)18-22-14(17(21)27)15-19(24-18)25(20(28)23-15)11-7-4-3-5-8-11/h3-10,26H,2H2,1H3,(H2,21,27)(H,23,28)
InChIKeyYMXWDKVZHCUZEG-UHFFFAOYSA-N
XLogP1.98
TPSA136.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-2-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide?
The IUPAC name of 2-(3-ethoxy-2-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide (CID 135734255) is 2-(3-ethoxy-2-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(3-ethoxy-2-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide?
The canonical SMILES for 2-(3-ethoxy-2-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide is CCOc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4)c3n2)c1O.
What is the InChIKey of 2-(3-ethoxy-2-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide?
The InChIKey is YMXWDKVZHCUZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c1-2-29-13-10-6-9-12(16(13)26)18-22-14(17(21)27)15-19(24-18)25(20(28)23-15)11-7-4-3-5-8-11/h3-10,26H,2H2,1H3,(H2,21,27)(H,23,28).
What are the key properties of 2-(3-ethoxy-2-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide?
2-(3-ethoxy-2-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide has a molecular weight of 391.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-2-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide is sourced from PubChem (CID 135734255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).