8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione

C16H20N6O2 — CID 53275855

IUPAC8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione
SMILESCn1c(=O)c2c(nc(NN)n2CCCc2ccccc2)n(C)c1=O
InChIInChI=1S/C16H20N6O2/c1-20-13-12(14(23)21(2)16(20)24)22(15(18-13)19-17)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10,17H2,1-2H3,(H,18,19)
InChIKeySLJFIJOOUFBENF-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.35
Rot. Bonds5

About 8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione

8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione (PubChem CID 53275855) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione.

Molecular Properties

Compound Name8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione
PubChem CID53275855
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione
SMILESCn1c(=O)c2c(nc(NN)n2CCCc2ccccc2)n(C)c1=O
InChIInChI=1S/C16H20N6O2/c1-20-13-12(14(23)21(2)16(20)24)22(15(18-13)19-17)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10,17H2,1-2H3,(H,18,19)
InChIKeySLJFIJOOUFBENF-UHFFFAOYSA-N
XLogP0.35
TPSA99.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.35
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

7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 839657
8-(ethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione
CID 706637
7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 12506348
8-[benzyl(methyl)amino]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione
CID 659536
8-hydrazinyl-7-[(2R)-2-hydroxy-2-phenylethyl]-1,3-dimethylpurine-2,6-dione
CID 1402237
1,3-dimethyl-8-(2-methylprop-2-enylsulfanyl)-7-(3-phenylpropyl)purine-2,6-dione
CID 1081550
methyl 2-[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate
CID 653315
1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]-7-(3-phenylpropyl)purine-2,6-dione
CID 987998
2-[8-(benzylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide
CID 699817
1,3-dimethyl-8-[(3-methylphenyl)methylsulfanyl]-7-(3-phenylpropyl)purine-2,6-dione
CID 987958
7-[(2,5-dichlorophenyl)methyl]-1,3-dimethyl-8-(4-phenylbutylamino)purine-2,6-dione
CID 71029597
8-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione
CID 3600648

Frequently Asked Questions

What is the IUPAC name of 8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione?
The IUPAC name of 8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione (CID 53275855) is 8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione.
What is the SMILES notation for 8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione?
The canonical SMILES for 8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione is Cn1c(=O)c2c(nc(NN)n2CCCc2ccccc2)n(C)c1=O.
What is the InChIKey of 8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione?
The InChIKey is SLJFIJOOUFBENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-20-13-12(14(23)21(2)16(20)24)22(15(18-13)19-17)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10,17H2,1-2H3,(H,18,19).
What are the key properties of 8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione?
8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione has a molecular weight of 328.38 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione is sourced from PubChem (CID 53275855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).