9-benzyl-7-ethyl-6-methoxypurin-8-one

C15H16N4O2 — CID 73293343

IUPAC9-benzyl-7-ethyl-6-methoxypurin-8-one
SMILESCCn1c(=O)n(Cc2ccccc2)c2ncnc(OC)c21
InChIInChI=1S/C15H16N4O2/c1-3-18-12-13(16-10-17-14(12)21-2)19(15(18)20)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeySWRSHWVOQPTSRF-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.67
Rot. Bonds4

About 9-benzyl-7-ethyl-6-methoxypurin-8-one

9-benzyl-7-ethyl-6-methoxypurin-8-one (PubChem CID 73293343) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 9-benzyl-7-ethyl-6-methoxypurin-8-one.

Molecular Properties

Compound Name9-benzyl-7-ethyl-6-methoxypurin-8-one
PubChem CID73293343
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name9-benzyl-7-ethyl-6-methoxypurin-8-one
SMILESCCn1c(=O)n(Cc2ccccc2)c2ncnc(OC)c21
InChIInChI=1S/C15H16N4O2/c1-3-18-12-13(16-10-17-14(12)21-2)19(15(18)20)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeySWRSHWVOQPTSRF-UHFFFAOYSA-N
XLogP1.67
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-benzyl-7-ethyl-6-methoxypurin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,9-dibenzyl-6-methoxypurin-8-one
CID 73292843
7-benzyl-9-methyl-6-phenoxypurin-8-one
CID 73293008
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
3-benzyl-7-ethyl-1-(2-oxopropyl)purine-2,6-dione
CID 5114927
3-benzyl-1-[(4-tert-butylphenyl)methyl]-7-ethylpurine-2,6-dione
CID 3442382
7-benzyl-9-cyclopentyl-6-phenoxypurin-8-one
CID 73293163
9-benzyl-1,7-dimethylpurine-6,8-dione
CID 163811964
3-benzyl-1-[2-(4-methoxyphenoxy)ethyl]-7-(2-methylpropyl)purine-2,6-dione
CID 3923214
9-benzyl-6-phenoxy-7H-purin-8-one
CID 141247328
2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]acetamide
CID 3384406
3-benzyl-7-[(4-methoxyphenyl)methyl]-1-prop-2-enylpurine-2,6-dione
CID 11235036
3-benzyl-7-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]purine-2,6-dione
CID 17410118

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-7-ethyl-6-methoxypurin-8-one?
The IUPAC name of 9-benzyl-7-ethyl-6-methoxypurin-8-one (CID 73293343) is 9-benzyl-7-ethyl-6-methoxypurin-8-one.
What is the SMILES notation for 9-benzyl-7-ethyl-6-methoxypurin-8-one?
The canonical SMILES for 9-benzyl-7-ethyl-6-methoxypurin-8-one is CCn1c(=O)n(Cc2ccccc2)c2ncnc(OC)c21.
What is the InChIKey of 9-benzyl-7-ethyl-6-methoxypurin-8-one?
The InChIKey is SWRSHWVOQPTSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-3-18-12-13(16-10-17-14(12)21-2)19(15(18)20)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 9-benzyl-7-ethyl-6-methoxypurin-8-one?
9-benzyl-7-ethyl-6-methoxypurin-8-one has a molecular weight of 284.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-7-ethyl-6-methoxypurin-8-one is sourced from PubChem (CID 73293343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).