7-benzyl-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione

C24H24N4O3 — CID 42862792

IUPAC7-benzyl-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione
SMILESCOc1ccccc1-n1c(=O)n(C2CCCC2)c(=O)c2c1ncn2Cc1ccccc1
InChIInChI=1S/C24H24N4O3/c1-31-20-14-8-7-13-19(20)28-22-21(23(29)27(24(28)30)18-11-5-6-12-18)26(16-25-22)15-17-9-3-2-4-10-17/h2-4,7-10,13-14,16,18H,5-6,11-12,15H2,1H3
InChIKeyOSQAVEQOKADKRU-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.52
Rot. Bonds5

About 7-benzyl-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione

7-benzyl-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione (PubChem CID 42862792) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 7-benzyl-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione.

Molecular Properties

Compound Name7-benzyl-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione
PubChem CID42862792
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name7-benzyl-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione
SMILESCOc1ccccc1-n1c(=O)n(C2CCCC2)c(=O)c2c1ncn2Cc1ccccc1
InChIInChI=1S/C24H24N4O3/c1-31-20-14-8-7-13-19(20)28-22-21(23(29)27(24(28)30)18-11-5-6-12-18)26(16-25-22)15-17-9-3-2-4-10-17/h2-4,7-10,13-14,16,18H,5-6,11-12,15H2,1H3
InChIKeyOSQAVEQOKADKRU-UHFFFAOYSA-N
XLogP3.52
TPSA71.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-benzyl-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione with MolForge

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Related Compounds

7-benzyl-1-cyclopropyl-3-(2-methoxyphenyl)purine-2,6-dione
CID 42862789
1-cyclopentyl-7-ethyl-3-(2-methoxyphenyl)purine-2,6-dione
CID 42862793
7-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione
CID 46061753
1-cyclohexyl-7-[(4-methoxyphenyl)methyl]-3-phenylpurine-2,6-dione
CID 42862764
7-[(3-chlorophenyl)methyl]-1-cyclopentyl-3-(2-methylphenyl)purine-2,6-dione
CID 46060822
methyl 4-[[3-(2-chlorophenyl)-1-cyclopentyl-2,6-dioxopurin-7-yl]methyl]benzoate
CID 42863116
7-[(3-chlorophenyl)methyl]-1-cyclohexyl-3-(2-methylphenyl)purine-2,6-dione
CID 46060807
1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione
CID 42862787
1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methylphenyl)methyl]purine-2,6-dione
CID 46060955
1-cyclopropyl-3-(4-fluorophenyl)-7-[(2-methoxyphenyl)methyl]purine-2,6-dione
CID 46062341
3-[[3-(2-chlorophenyl)-1-cyclohexyl-2,6-dioxopurin-7-yl]methyl]benzonitrile
CID 42863114
1-cyclopropyl-7-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)purine-2,6-dione
CID 42863288

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione?
The IUPAC name of 7-benzyl-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione (CID 42862792) is 7-benzyl-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione.
What is the SMILES notation for 7-benzyl-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione?
The canonical SMILES for 7-benzyl-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione is COc1ccccc1-n1c(=O)n(C2CCCC2)c(=O)c2c1ncn2Cc1ccccc1.
What is the InChIKey of 7-benzyl-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione?
The InChIKey is OSQAVEQOKADKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-31-20-14-8-7-13-19(20)28-22-21(23(29)27(24(28)30)18-11-5-6-12-18)26(16-25-22)15-17-9-3-2-4-10-17/h2-4,7-10,13-14,16,18H,5-6,11-12,15H2,1H3.
What are the key properties of 7-benzyl-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione?
7-benzyl-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione has a molecular weight of 416.48 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione is sourced from PubChem (CID 42862792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).