7-benzyl-9-methyl-6-phenoxypurin-8-one

C19H16N4O2 — CID 73293008

IUPAC7-benzyl-9-methyl-6-phenoxypurin-8-one
SMILESCn1c(=O)n(Cc2ccccc2)c2c(Oc3ccccc3)ncnc21
InChIInChI=1S/C19H16N4O2/c1-22-17-16(23(19(22)24)12-14-8-4-2-5-9-14)18(21-13-20-17)25-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyRWAGQTNVOUVXGP-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.97
Rot. Bonds4

About 7-benzyl-9-methyl-6-phenoxypurin-8-one

7-benzyl-9-methyl-6-phenoxypurin-8-one (PubChem CID 73293008) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 7-benzyl-9-methyl-6-phenoxypurin-8-one.

Molecular Properties

Compound Name7-benzyl-9-methyl-6-phenoxypurin-8-one
PubChem CID73293008
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name7-benzyl-9-methyl-6-phenoxypurin-8-one
SMILESCn1c(=O)n(Cc2ccccc2)c2c(Oc3ccccc3)ncnc21
InChIInChI=1S/C19H16N4O2/c1-22-17-16(23(19(22)24)12-14-8-4-2-5-9-14)18(21-13-20-17)25-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyRWAGQTNVOUVXGP-UHFFFAOYSA-N
XLogP2.97
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-benzyl-9-cyclopentyl-6-phenoxypurin-8-one
CID 73293163
7,9-dibenzyl-6-methoxypurin-8-one
CID 73292843
9-benzyl-6-phenoxy-7H-purin-8-one
CID 141247328
9-benzyl-7-ethyl-6-methoxypurin-8-one
CID 73293343
2-benzyl-4-methyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 44893769
1-benzyl-3,7-dimethylpurine-2,6-dione;chloro hypochlorite;selane
CID 174537042
1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-phenoxypurine-2,6-dione
CID 1302970
5-methyl-4-phenoxypyrrolo[3,2-d]pyrimidine
CID 91243415
7-benzyl-9-methyl-6-piperazin-1-ylpurin-8-one;2,2,2-trifluoroacetic acid
CID 68823241
9-benzyl-1,7-dimethylpurine-6,8-dione
CID 163811964
(7S)-3-benzyl-1,7-dimethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 41106255
8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione
CID 1097773

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-9-methyl-6-phenoxypurin-8-one?
The IUPAC name of 7-benzyl-9-methyl-6-phenoxypurin-8-one (CID 73293008) is 7-benzyl-9-methyl-6-phenoxypurin-8-one.
What is the SMILES notation for 7-benzyl-9-methyl-6-phenoxypurin-8-one?
The canonical SMILES for 7-benzyl-9-methyl-6-phenoxypurin-8-one is Cn1c(=O)n(Cc2ccccc2)c2c(Oc3ccccc3)ncnc21.
What is the InChIKey of 7-benzyl-9-methyl-6-phenoxypurin-8-one?
The InChIKey is RWAGQTNVOUVXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-22-17-16(23(19(22)24)12-14-8-4-2-5-9-14)18(21-13-20-17)25-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3.
What are the key properties of 7-benzyl-9-methyl-6-phenoxypurin-8-one?
7-benzyl-9-methyl-6-phenoxypurin-8-one has a molecular weight of 332.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-9-methyl-6-phenoxypurin-8-one is sourced from PubChem (CID 73293008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).