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

C20H17N5O3 — CID 3245299

IUPAC2-(2-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
SMILESCCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C20H17N5O3/c1-2-28-14-11-7-6-10-13(14)18-22-15(17(21)26)16-19(24-18)25(20(27)23-16)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H2,21,26)(H,23,27)
InChIKeyMMKCJCTXBHWGHK-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.27
Rot. Bonds5

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

2-(2-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide (PubChem CID 3245299) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
PubChem CID3245299
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name2-(2-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
SMILESCCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C20H17N5O3/c1-2-28-14-11-7-6-10-13(14)18-22-15(17(21)26)16-19(24-18)25(20(27)23-16)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H2,21,26)(H,23,27)
InChIKeyMMKCJCTXBHWGHK-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

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Related Compounds

Desulfovardenafil
CID 135406983
7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CID 662512
compound 5a (PMID: 27536893)
CID 7196946
2-(4-ethoxyphenyl)-9-(3-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 7422842
8-(2-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CID 9994131
2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-methyl-N-phenyl-acetamide
CID 10648228
N-[4-[7-(4-methoxyphenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]phenyl]acetamide
CID 45277178
N-[4-[7-(3-fluoro-4-methoxyphenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]phenyl]acetamide
CID 52920522
methyl N-[4-[7-(4-methoxyphenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]phenyl]carbamate
CID 52920523
1-[4-[7-(3-Fluoro-4-methoxyphenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]phenyl]-3-methylurea
CID 56683419
8-{4-[1-(4-Fluorophenyl)-5-oxo-pyrrolidin-3-ylmethoxy]phenyl}-1,3-dipropyl-3,7-dihydropurine-2,6-dione
CID 57988776
8-[4-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]methoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione
CID 66894143

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide?
The IUPAC name of 2-(2-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide (CID 3245299) is 2-(2-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(2-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide?
The canonical SMILES for 2-(2-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide is CCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-(2-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide?
The InChIKey is MMKCJCTXBHWGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-2-28-14-11-7-6-10-13(14)18-22-15(17(21)26)16-19(24-18)25(20(27)23-16)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H2,21,26)(H,23,27).
What are the key properties of 2-(2-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide?
2-(2-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-(2-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide is sourced from PubChem (CID 3245299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).