9-(2,4-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide

C16H17N5O4 — CID 7599520

IUPAC9-(2,4-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide
SMILESCCc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(OC)cc3OC)c2n1
InChIInChI=1S/C16H17N5O4/c1-4-11-18-12(14(17)22)13-15(19-11)21(16(23)20-13)9-6-5-8(24-2)7-10(9)25-3/h5-7H,4H2,1-3H3,(H2,17,22)(H,20,23)
InChIKeyZOZPARVJKMVLES-UHFFFAOYSA-N
MW343.34 g/mol
LogP0.79
Rot. Bonds5

About 9-(2,4-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide

9-(2,4-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide (PubChem CID 7599520) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is 9-(2,4-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(2,4-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide
PubChem CID7599520
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC Name9-(2,4-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide
SMILESCCc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(OC)cc3OC)c2n1
InChIInChI=1S/C16H17N5O4/c1-4-11-18-12(14(17)22)13-15(19-11)21(16(23)20-13)9-6-5-8(24-2)7-10(9)25-3/h5-7H,4H2,1-3H3,(H2,17,22)(H,20,23)
InChIKeyZOZPARVJKMVLES-UHFFFAOYSA-N
XLogP0.79
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

compound 5a (PMID: 27536893)
CID 7196946
2-(4-ethylphenyl)-9-(2-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 5310250
2-(2,4-dimethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 5310465
9-(2-methoxyphenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide
CID 5310588
9-(3,4-dimethoxyphenyl)-8-oxo-2-(pentan-3-yl)-8,9-dihydro-7H-purine-6-carboxamide
CID 7599518
9-(2,4-dimethoxyphenyl)-2-hexyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 7599526
Ethyl 2-[6-carbamoyl-9-(2-methoxyphenyl)-8-oxo-2-phenyl-8,9-dihydro-7H-purin-7-YL]acetate
CID 16029361
1-(4-methoxyphenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 71580333
2-butyl-9-(4-ethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 7599545
2-(4-butoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 130339791
2-(4-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 136037537
2-(2,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 5310351

Frequently Asked Questions

What is the IUPAC name of 9-(2,4-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 9-(2,4-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide (CID 7599520) is 9-(2,4-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 9-(2,4-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 9-(2,4-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide is CCc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(OC)cc3OC)c2n1.
What is the InChIKey of 9-(2,4-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide?
The InChIKey is ZOZPARVJKMVLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-4-11-18-12(14(17)22)13-15(19-11)21(16(23)20-13)9-6-5-8(24-2)7-10(9)25-3/h5-7H,4H2,1-3H3,(H2,17,22)(H,20,23).
What are the key properties of 9-(2,4-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide?
9-(2,4-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4-dimethoxyphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 7599520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).