7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)purine-2,6-dione

C20H24N4O3 — CID 19699213

IUPAC7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)purine-2,6-dione
SMILESCOCCn1c(=O)[nH]c(=O)c2c1nc(C1CCCC1)n2Cc1ccccc1
InChIInChI=1S/C20H24N4O3/c1-27-12-11-23-18-16(19(25)22-20(23)26)24(13-14-7-3-2-4-8-14)17(21-18)15-9-5-6-10-15/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,22,25,26)
InChIKeyFJHGFYKSCWMTCH-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.24
Rot. Bonds6

About 7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)purine-2,6-dione

7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)purine-2,6-dione (PubChem CID 19699213) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)purine-2,6-dione.

Molecular Properties

Compound Name7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)purine-2,6-dione
PubChem CID19699213
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)purine-2,6-dione
SMILESCOCCn1c(=O)[nH]c(=O)c2c1nc(C1CCCC1)n2Cc1ccccc1
InChIInChI=1S/C20H24N4O3/c1-27-12-11-23-18-16(19(25)22-20(23)26)24(13-14-7-3-2-4-8-14)17(21-18)15-9-5-6-10-15/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,22,25,26)
InChIKeyFJHGFYKSCWMTCH-UHFFFAOYSA-N
XLogP2.24
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-benzyl-8-cyclopentyl-3-(3-methoxypropyl)-1-prop-2-enylpurine-2,6-dione
CID 19699223
3-(2-methoxyethyl)-7-methyl-8-piperidin-4-ylpurine-2,6-dione
CID 82464231
7-benzyl-8-(5-bromo-2-fluorophenyl)-3-(2-methoxyethyl)purine-2,6-dione
CID 3549128
8-cyclohexyl-3-ethyl-1-(2-methoxyethyl)-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 67911511
7-benzyl-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione
CID 3157431
8-(chloromethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione
CID 82465458
7-benzyl-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
CID 1089313
3-benzyl-8-cyclopentyl-1-propyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione
CID 10528812
7-benzyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione
CID 679995
3-benzyl-8-(4-methoxyphenyl)-7-[[(2R)-oxolan-2-yl]methyl]purine-2,6-dione
CID 25341710
3-benzyl-7-methyl-8-nitropurine-2,6-dione
CID 10380105
8-(aminomethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione
CID 82465449

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)purine-2,6-dione?
The IUPAC name of 7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)purine-2,6-dione (CID 19699213) is 7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)purine-2,6-dione.
What is the SMILES notation for 7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)purine-2,6-dione?
The canonical SMILES for 7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)purine-2,6-dione is COCCn1c(=O)[nH]c(=O)c2c1nc(C1CCCC1)n2Cc1ccccc1.
What is the InChIKey of 7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)purine-2,6-dione?
The InChIKey is FJHGFYKSCWMTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-27-12-11-23-18-16(19(25)22-20(23)26)24(13-14-7-3-2-4-8-14)17(21-18)15-9-5-6-10-15/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,22,25,26).
What are the key properties of 7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)purine-2,6-dione?
7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)purine-2,6-dione has a molecular weight of 368.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)purine-2,6-dione is sourced from PubChem (CID 19699213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).