8-(5-chlorofuran-2-yl)-3-ethyl-7H-purine-2,6-dione

C11H9ClN4O3 — CID 106688329

IUPAC8-(5-chlorofuran-2-yl)-3-ethyl-7H-purine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(Cl)o3)nc21
InChIInChI=1S/C11H9ClN4O3/c1-2-16-9-7(10(17)15-11(16)18)13-8(14-9)5-3-4-6(12)19-5/h3-4H,2H2,1H3,(H,13,14)(H,15,17,18)
InChIKeyOFQWYEOZEDJWRW-UHFFFAOYSA-N
MW280.67 g/mol
LogP1.35
Rot. Bonds2

About 8-(5-chlorofuran-2-yl)-3-ethyl-7H-purine-2,6-dione

8-(5-chlorofuran-2-yl)-3-ethyl-7H-purine-2,6-dione (PubChem CID 106688329) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is 8-(5-chlorofuran-2-yl)-3-ethyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(5-chlorofuran-2-yl)-3-ethyl-7H-purine-2,6-dione
PubChem CID106688329
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC Name8-(5-chlorofuran-2-yl)-3-ethyl-7H-purine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(Cl)o3)nc21
InChIInChI=1S/C11H9ClN4O3/c1-2-16-9-7(10(17)15-11(16)18)13-8(14-9)5-3-4-6(12)19-5/h3-4H,2H2,1H3,(H,13,14)(H,15,17,18)
InChIKeyOFQWYEOZEDJWRW-UHFFFAOYSA-N
XLogP1.35
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-(5-chlorofuran-2-yl)-3-ethyl-7H-purine-2,6-dione with MolForge

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Related Compounds

8-(6-chloro-3-pyridinyl)-3-ethyl-7H-purine-2,6-dione
CID 147125697
8-(2,5-dichlorophenyl)-3-ethyl-7H-purine-2,6-dione
CID 115925610
3-ethyl-8-(1,2-oxazol-3-yl)-7H-purine-2,6-dione
CID 136926833
3-ethyl-8-(4-ethylphenyl)-7H-purine-2,6-dione
CID 115600488
8-(4-chlorophenyl)-3-propyl-7H-purine-2,6-dione
CID 91980635
3-ethyl-8-(6-methyl-3-pyridinyl)-7H-purine-2,6-dione
CID 115925584
8-(3-bromophenyl)-3-ethyl-7H-purine-2,6-dione
CID 115600497
3-ethyl-8-(4-methylthiophen-3-yl)-7H-purine-2,6-dione
CID 112568950
8-(3-bromo-4-methylphenyl)-3-ethyl-7H-purine-2,6-dione
CID 115877858
6-(3-ethyl-2,6-dioxo-7H-purin-8-yl)pyridine-3-carbonitrile
CID 115925575
3-ethyl-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione
CID 112568925
8-(1-methylpyrazol-3-yl)-3-propyl-7H-purine-2,6-dione
CID 136785876

Frequently Asked Questions

What is the IUPAC name of 8-(5-chlorofuran-2-yl)-3-ethyl-7H-purine-2,6-dione?
The IUPAC name of 8-(5-chlorofuran-2-yl)-3-ethyl-7H-purine-2,6-dione (CID 106688329) is 8-(5-chlorofuran-2-yl)-3-ethyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(5-chlorofuran-2-yl)-3-ethyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(5-chlorofuran-2-yl)-3-ethyl-7H-purine-2,6-dione is CCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(Cl)o3)nc21.
What is the InChIKey of 8-(5-chlorofuran-2-yl)-3-ethyl-7H-purine-2,6-dione?
The InChIKey is OFQWYEOZEDJWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c1-2-16-9-7(10(17)15-11(16)18)13-8(14-9)5-3-4-6(12)19-5/h3-4H,2H2,1H3,(H,13,14)(H,15,17,18).
What are the key properties of 8-(5-chlorofuran-2-yl)-3-ethyl-7H-purine-2,6-dione?
8-(5-chlorofuran-2-yl)-3-ethyl-7H-purine-2,6-dione has a molecular weight of 280.67 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chlorofuran-2-yl)-3-ethyl-7H-purine-2,6-dione is sourced from PubChem (CID 106688329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).