9-benzyl-6-phenoxy-7H-purin-8-one

C18H14N4O2 — CID 141247328

IUPAC9-benzyl-6-phenoxy-7H-purin-8-one
SMILESO=c1[nH]c2c(Oc3ccccc3)ncnc2n1Cc1ccccc1
InChIInChI=1S/C18H14N4O2/c23-18-21-15-16(22(18)11-13-7-3-1-4-8-13)19-12-20-17(15)24-14-9-5-2-6-10-14/h1-10,12H,11H2,(H,21,23)
InChIKeySFKCQMZVZFEYSR-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.96
Rot. Bonds4

About 9-benzyl-6-phenoxy-7H-purin-8-one

9-benzyl-6-phenoxy-7H-purin-8-one (PubChem CID 141247328) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 9-benzyl-6-phenoxy-7H-purin-8-one.

Molecular Properties

Compound Name9-benzyl-6-phenoxy-7H-purin-8-one
PubChem CID141247328
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name9-benzyl-6-phenoxy-7H-purin-8-one
SMILESO=c1[nH]c2c(Oc3ccccc3)ncnc2n1Cc1ccccc1
InChIInChI=1S/C18H14N4O2/c23-18-21-15-16(22(18)11-13-7-3-1-4-8-13)19-12-20-17(15)24-14-9-5-2-6-10-14/h1-10,12H,11H2,(H,21,23)
InChIKeySFKCQMZVZFEYSR-UHFFFAOYSA-N
XLogP2.96
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-benzyl-9-methyl-6-phenoxypurin-8-one
CID 73293008
N-(9-benzyl-8-oxo-7H-purin-6-yl)benzamide
CID 10450244
7-benzyl-9-cyclopentyl-6-phenoxypurin-8-one
CID 73293163
7,9-dibenzyl-6-methoxypurin-8-one
CID 73292843
3-benzyl-6-phenoxy-1H-benzimidazol-2-one
CID 10335905
9-benzyl-7-ethyl-6-methoxypurin-8-one
CID 73293343
2-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)oxy]acetic acid
CID 59382538
3-benzyl-8-methyl-7H-purine-2,6-dione
CID 69118502
6-amino-9-benzyl-2-(2-methylsulfanylethoxy)-7H-purin-8-one
CID 18332805
6-amino-9-benzyl-2-propylsulfanyloxy-7H-purin-8-one
CID 175203948
6-(1,3-dihydroisoindol-2-yl)-9-ethyl-7H-purin-8-one
CID 163344587
6-amino-9-benzyl-2-(1-methoxyethoxy)-7H-purin-8-one
CID 67104792

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-6-phenoxy-7H-purin-8-one?
The IUPAC name of 9-benzyl-6-phenoxy-7H-purin-8-one (CID 141247328) is 9-benzyl-6-phenoxy-7H-purin-8-one.
What is the SMILES notation for 9-benzyl-6-phenoxy-7H-purin-8-one?
The canonical SMILES for 9-benzyl-6-phenoxy-7H-purin-8-one is O=c1[nH]c2c(Oc3ccccc3)ncnc2n1Cc1ccccc1.
What is the InChIKey of 9-benzyl-6-phenoxy-7H-purin-8-one?
The InChIKey is SFKCQMZVZFEYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-18-21-15-16(22(18)11-13-7-3-1-4-8-13)19-12-20-17(15)24-14-9-5-2-6-10-14/h1-10,12H,11H2,(H,21,23).
What are the key properties of 9-benzyl-6-phenoxy-7H-purin-8-one?
9-benzyl-6-phenoxy-7H-purin-8-one has a molecular weight of 318.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-6-phenoxy-7H-purin-8-one is sourced from PubChem (CID 141247328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).