3-ethyl-8-(4-ethylphenyl)-7H-purine-2,6-dione

C15H16N4O2 — CID 115600488

IUPAC3-ethyl-8-(4-ethylphenyl)-7H-purine-2,6-dione
SMILESCCc1ccc(-c2nc3c([nH]2)c(=O)[nH]c(=O)n3CC)cc1
InChIInChI=1S/C15H16N4O2/c1-3-9-5-7-10(8-6-9)12-16-11-13(17-12)19(4-2)15(21)18-14(11)20/h5-8H,3-4H2,1-2H3,(H,16,17)(H,18,20,21)
InChIKeyRZPDIJUSNGXCFD-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.66
Rot. Bonds3

About 3-ethyl-8-(4-ethylphenyl)-7H-purine-2,6-dione

3-ethyl-8-(4-ethylphenyl)-7H-purine-2,6-dione (PubChem CID 115600488) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-ethyl-8-(4-ethylphenyl)-7H-purine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-8-(4-ethylphenyl)-7H-purine-2,6-dione
PubChem CID115600488
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-ethyl-8-(4-ethylphenyl)-7H-purine-2,6-dione
SMILESCCc1ccc(-c2nc3c([nH]2)c(=O)[nH]c(=O)n3CC)cc1
InChIInChI=1S/C15H16N4O2/c1-3-9-5-7-10(8-6-9)12-16-11-13(17-12)19(4-2)15(21)18-14(11)20/h5-8H,3-4H2,1-2H3,(H,16,17)(H,18,20,21)
InChIKeyRZPDIJUSNGXCFD-UHFFFAOYSA-N
XLogP1.66
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-8-(6-methyl-3-pyridinyl)-7H-purine-2,6-dione
CID 115925584
8-(6-chloro-3-pyridinyl)-3-ethyl-7H-purine-2,6-dione
CID 147125697
8-(3-bromo-4-methylphenyl)-3-ethyl-7H-purine-2,6-dione
CID 115877858
8-(3-bromophenyl)-3-ethyl-7H-purine-2,6-dione
CID 115600497
8-(4-chlorophenyl)-3-propyl-7H-purine-2,6-dione
CID 91980635
3-ethyl-8-(1,2-oxazol-3-yl)-7H-purine-2,6-dione
CID 136926833
8-(5-chlorofuran-2-yl)-3-ethyl-7H-purine-2,6-dione
CID 106688329
8-(2,5-dichlorophenyl)-3-ethyl-7H-purine-2,6-dione
CID 115925610
6-(3-ethyl-2,6-dioxo-7H-purin-8-yl)pyridine-3-carbonitrile
CID 115925575
3-ethyl-8-(4-methylthiophen-3-yl)-7H-purine-2,6-dione
CID 112568950
3-ethyl-8-hydrazinyl-7H-purine-2,6-dione
CID 82465284
N-[[4-(2,6-dioxo-3-propyl-7H-purin-8-yl)phenoxy]methyl]-N-(2-hydroxyethyl)formamide
CID 87524658

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-(4-ethylphenyl)-7H-purine-2,6-dione?
The IUPAC name of 3-ethyl-8-(4-ethylphenyl)-7H-purine-2,6-dione (CID 115600488) is 3-ethyl-8-(4-ethylphenyl)-7H-purine-2,6-dione.
What is the SMILES notation for 3-ethyl-8-(4-ethylphenyl)-7H-purine-2,6-dione?
The canonical SMILES for 3-ethyl-8-(4-ethylphenyl)-7H-purine-2,6-dione is CCc1ccc(-c2nc3c([nH]2)c(=O)[nH]c(=O)n3CC)cc1.
What is the InChIKey of 3-ethyl-8-(4-ethylphenyl)-7H-purine-2,6-dione?
The InChIKey is RZPDIJUSNGXCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-3-9-5-7-10(8-6-9)12-16-11-13(17-12)19(4-2)15(21)18-14(11)20/h5-8H,3-4H2,1-2H3,(H,16,17)(H,18,20,21).
What are the key properties of 3-ethyl-8-(4-ethylphenyl)-7H-purine-2,6-dione?
3-ethyl-8-(4-ethylphenyl)-7H-purine-2,6-dione has a molecular weight of 284.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-(4-ethylphenyl)-7H-purine-2,6-dione is sourced from PubChem (CID 115600488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).