9-ethyl-6-(5-methylfuran-2-yl)purine

C12H12N4O — CID 121008594

IUPAC9-ethyl-6-(5-methylfuran-2-yl)purine
SMILESCCn1cnc2c(-c3ccc(C)o3)ncnc21
InChIInChI=1S/C12H12N4O/c1-3-16-7-15-11-10(13-6-14-12(11)16)9-5-4-8(2)17-9/h4-7H,3H2,1-2H3
InChIKeyZSISLRJJQWYWQI-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.41
Rot. Bonds2

About 9-ethyl-6-(5-methylfuran-2-yl)purine

9-ethyl-6-(5-methylfuran-2-yl)purine (PubChem CID 121008594) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 9-ethyl-6-(5-methylfuran-2-yl)purine.

Molecular Properties

Compound Name9-ethyl-6-(5-methylfuran-2-yl)purine
PubChem CID121008594
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name9-ethyl-6-(5-methylfuran-2-yl)purine
SMILESCCn1cnc2c(-c3ccc(C)o3)ncnc21
InChIInChI=1S/C12H12N4O/c1-3-16-7-15-11-10(13-6-14-12(11)16)9-5-4-8(2)17-9/h4-7H,3H2,1-2H3
InChIKeyZSISLRJJQWYWQI-UHFFFAOYSA-N
XLogP2.41
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-ethyl-N-methylpurin-6-amine
CID 23389288
9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine
CID 163348607
4-[[6-(furan-2-yl)purin-9-yl]methyl]-N,N-dimethylaniline
CID 5270851
9-ethyl-6-(4-phenylpiperazin-1-yl)purine
CID 155980574
ethyl 2-[6-(4-methoxyphenyl)purin-9-yl]acetate
CID 134850644
N-benzyl-9-ethyl-N-methylpurin-6-amine
CID 163348599
9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine
CID 155980707
9-ethyl-6-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]purine
CID 138008276
6-bromo-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 158120099
6-[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-9-ethylpurine
CID 124872852
9-[(3-chlorophenyl)methyl]-6-(furan-2-yl)purine
CID 5270740
9-ethyl-N-[(2-fluorophenyl)methyl]purin-6-amine
CID 165433816

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-(5-methylfuran-2-yl)purine?
The IUPAC name of 9-ethyl-6-(5-methylfuran-2-yl)purine (CID 121008594) is 9-ethyl-6-(5-methylfuran-2-yl)purine.
What is the SMILES notation for 9-ethyl-6-(5-methylfuran-2-yl)purine?
The canonical SMILES for 9-ethyl-6-(5-methylfuran-2-yl)purine is CCn1cnc2c(-c3ccc(C)o3)ncnc21.
What is the InChIKey of 9-ethyl-6-(5-methylfuran-2-yl)purine?
The InChIKey is ZSISLRJJQWYWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-3-16-7-15-11-10(13-6-14-12(11)16)9-5-4-8(2)17-9/h4-7H,3H2,1-2H3.
What are the key properties of 9-ethyl-6-(5-methylfuran-2-yl)purine?
9-ethyl-6-(5-methylfuran-2-yl)purine has a molecular weight of 228.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-(5-methylfuran-2-yl)purine is sourced from PubChem (CID 121008594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).