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

C20H16FN5O3 — CID 5310561

IUPAC2-(2-ethoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C20H16FN5O3/c1-2-29-14-6-4-3-5-13(14)18-23-15(17(22)27)16-19(25-18)26(20(28)24-16)12-9-7-11(21)8-10-12/h3-10H,2H2,1H3,(H2,22,27)(H,24,28)
InChIKeySDELODFZJGGHRP-UHFFFAOYSA-N
MW393.38 g/mol
LogP2.41
Rot. Bonds5

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

2-(2-ethoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 5310561) has the molecular formula C20H16FN5O3 and a molecular weight of 393.38 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID5310561
Molecular FormulaC20H16FN5O3
Molecular Weight393.38 g/mol
Exact Mass393.12
IUPAC Name2-(2-ethoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C20H16FN5O3/c1-2-29-14-6-4-3-5-13(14)18-23-15(17(22)27)16-19(25-18)26(20(28)24-16)12-9-7-11(21)8-10-12/h3-10H,2H2,1H3,(H2,22,27)(H,24,28)
InChIKeySDELODFZJGGHRP-UHFFFAOYSA-N
XLogP2.41
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 52.41
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-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 2-(2-ethoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide (CID 5310561) is 2-(2-ethoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(2-ethoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 2-(2-ethoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide is CCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 2-(2-ethoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is SDELODFZJGGHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3/c1-2-29-14-6-4-3-5-13(14)18-23-15(17(22)27)16-19(25-18)26(20(28)24-16)12-9-7-11(21)8-10-12/h3-10H,2H2,1H3,(H2,22,27)(H,24,28).
What are the key properties of 2-(2-ethoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide?
2-(2-ethoxyphenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 393.38 g/mol, XLogP of 2.41, 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-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 5310561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).