7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione

C14H16N6O2 — CID 839657

IUPAC7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(nc(NN)n2Cc2ccccc2)n(C)c1=O
InChIInChI=1S/C14H16N6O2/c1-18-11-10(12(21)19(2)14(18)22)20(13(16-11)17-15)8-9-6-4-3-5-7-9/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyOIKMOIADJPVFJH-UHFFFAOYSA-N
MW300.32 g/mol
LogP-0.23
Rot. Bonds3

About 7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione

7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione (PubChem CID 839657) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
PubChem CID839657
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(nc(NN)n2Cc2ccccc2)n(C)c1=O
InChIInChI=1S/C14H16N6O2/c1-18-11-10(12(21)19(2)14(18)22)20(13(16-11)17-15)8-9-6-4-3-5-7-9/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyOIKMOIADJPVFJH-UHFFFAOYSA-N
XLogP-0.23
TPSA99.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione
CID 53275855
7-benzyl-8-(4-ethoxyanilino)-1,3-dimethylpurine-2,6-dione
CID 988150
8-hydrazinyl-7-[(2R)-2-hydroxy-2-phenylethyl]-1,3-dimethylpurine-2,6-dione
CID 1402237
(2R)-2-[(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)amino]-3-phenylpropanoic acid
CID 7005332
8-(2-aminoethylamino)-1,7-dibenzyl-3-methylpurine-2,6-dione
CID 5037021
7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 12506348
7-benzyl-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione
CID 628923
8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione
CID 1097773
7-benzyl-8-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
CID 136911299
2-[(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)amino]butyl acetate
CID 2729715
1,7-dibenzyl-8-[[(2R)-2-hydroxypropyl]amino]-3-methylpurine-2,6-dione
CID 7007269
N-[2-[2-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)hydrazinyl]ethyl]benzamide
CID 178183266

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione (CID 839657) is 7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione is Cn1c(=O)c2c(nc(NN)n2Cc2ccccc2)n(C)c1=O.
What is the InChIKey of 7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione?
The InChIKey is OIKMOIADJPVFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-18-11-10(12(21)19(2)14(18)22)20(13(16-11)17-15)8-9-6-4-3-5-7-9/h3-7H,8,15H2,1-2H3,(H,16,17).
What are the key properties of 7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione?
7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione has a molecular weight of 300.32 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 839657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).