7,9-dibenzyl-6-methoxypurin-8-one

C20H18N4O2 — CID 73292843

IUPAC7,9-dibenzyl-6-methoxypurin-8-one
SMILESCOc1ncnc2c1n(Cc1ccccc1)c(=O)n2Cc1ccccc1
InChIInChI=1S/C20H18N4O2/c1-26-19-17-18(21-14-22-19)24(13-16-10-6-3-7-11-16)20(25)23(17)12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3
InChIKeyHQHYKRSUJCFOFR-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.70
Rot. Bonds5

About 7,9-dibenzyl-6-methoxypurin-8-one

7,9-dibenzyl-6-methoxypurin-8-one (PubChem CID 73292843) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 7,9-dibenzyl-6-methoxypurin-8-one.

Molecular Properties

Compound Name7,9-dibenzyl-6-methoxypurin-8-one
PubChem CID73292843
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name7,9-dibenzyl-6-methoxypurin-8-one
SMILESCOc1ncnc2c1n(Cc1ccccc1)c(=O)n2Cc1ccccc1
InChIInChI=1S/C20H18N4O2/c1-26-19-17-18(21-14-22-19)24(13-16-10-6-3-7-11-16)20(25)23(17)12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3
InChIKeyHQHYKRSUJCFOFR-UHFFFAOYSA-N
XLogP2.70
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-benzyl-7-ethyl-6-methoxypurin-8-one
CID 73293343
7-benzyl-9-methyl-6-phenoxypurin-8-one
CID 73293008
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
1,3-dibenzylphenanthro[9,10-d]imidazol-2-one
CID 11509882
2-amino-9-[(4-methoxyphenyl)methyl]-6-phenylmethoxy-7-prop-2-enylpurin-8-one
CID 153283042
4-[(4-benzoylphenyl)methyl]-6-methoxy-2-phenyl-1,2,4-triazine-3,5-dione
CID 68705820
11-benzyl-5-[(4-methoxyphenyl)methyl]-3,5,7,9,11,13-hexazatricyclo[8.3.0.02,6]trideca-1(10),2,6,8,12-pentaen-4-one
CID 71523881

Frequently Asked Questions

What is the IUPAC name of 7,9-dibenzyl-6-methoxypurin-8-one?
The IUPAC name of 7,9-dibenzyl-6-methoxypurin-8-one (CID 73292843) is 7,9-dibenzyl-6-methoxypurin-8-one.
What is the SMILES notation for 7,9-dibenzyl-6-methoxypurin-8-one?
The canonical SMILES for 7,9-dibenzyl-6-methoxypurin-8-one is COc1ncnc2c1n(Cc1ccccc1)c(=O)n2Cc1ccccc1.
What is the InChIKey of 7,9-dibenzyl-6-methoxypurin-8-one?
The InChIKey is HQHYKRSUJCFOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-26-19-17-18(21-14-22-19)24(13-16-10-6-3-7-11-16)20(25)23(17)12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3.
What are the key properties of 7,9-dibenzyl-6-methoxypurin-8-one?
7,9-dibenzyl-6-methoxypurin-8-one has a molecular weight of 346.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dibenzyl-6-methoxypurin-8-one is sourced from PubChem (CID 73292843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).