3-butyl-1-ethyl-8-hydrazinyl-7-methylpurine-2,6-dione

C12H20N6O2 — CID 82464779

IUPAC3-butyl-1-ethyl-8-hydrazinyl-7-methylpurine-2,6-dione
SMILESCCCCn1c(=O)n(CC)c(=O)c2c1nc(NN)n2C
InChIInChI=1S/C12H20N6O2/c1-4-6-7-18-9-8(16(3)11(14-9)15-13)10(19)17(5-2)12(18)20/h4-7,13H2,1-3H3,(H,14,15)
InChIKeyQECIJCDDFVAJGY-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.00
Rot. Bonds5

About 3-butyl-1-ethyl-8-hydrazinyl-7-methylpurine-2,6-dione

3-butyl-1-ethyl-8-hydrazinyl-7-methylpurine-2,6-dione (PubChem CID 82464779) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-butyl-1-ethyl-8-hydrazinyl-7-methylpurine-2,6-dione.

Molecular Properties

Compound Name3-butyl-1-ethyl-8-hydrazinyl-7-methylpurine-2,6-dione
PubChem CID82464779
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name3-butyl-1-ethyl-8-hydrazinyl-7-methylpurine-2,6-dione
SMILESCCCCn1c(=O)n(CC)c(=O)c2c1nc(NN)n2C
InChIInChI=1S/C12H20N6O2/c1-4-6-7-18-9-8(16(3)11(14-9)15-13)10(19)17(5-2)12(18)20/h4-7,13H2,1-3H3,(H,14,15)
InChIKeyQECIJCDDFVAJGY-UHFFFAOYSA-N
XLogP0.00
TPSA99.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.00
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

1-ethyl-3,7-dimethyl-8-(pentylamino)purine-2,6-dione
CID 45496891
3-butyl-7-ethyl-1-methyl-8-(methylamino)purine-2,6-dione
CID 82464795
1,3-diethyl-8-(3-hydroxypropylamino)-7-methylpurine-2,6-dione
CID 82464460
1-(2-aminoethyl)-3-butyl-8-ethyl-7-methylpurine-2,6-dione
CID 82466367
3-butyl-1-ethyl-8-(hydroxymethyl)-7-propylpurine-2,6-dione
CID 110882468
8-(2-aminoethylamino)-1-ethyl-3-(2-methoxyethyl)-7-methylpurine-2,6-dione
CID 82465055
8-amino-1-ethyl-3-(3-methoxypropyl)-7-methylpurine-2,6-dione
CID 82465130
1,3,7-triethyl-8-(methylamino)purine-2,6-dione
CID 82464428
8-hydrazinyl-1,7-dimethyl-3-propan-2-ylpurine-2,6-dione
CID 82464557
8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione
CID 82464444
7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione
CID 82464656
1-ethyl-8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione
CID 82464565

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-ethyl-8-hydrazinyl-7-methylpurine-2,6-dione?
The IUPAC name of 3-butyl-1-ethyl-8-hydrazinyl-7-methylpurine-2,6-dione (CID 82464779) is 3-butyl-1-ethyl-8-hydrazinyl-7-methylpurine-2,6-dione.
What is the SMILES notation for 3-butyl-1-ethyl-8-hydrazinyl-7-methylpurine-2,6-dione?
The canonical SMILES for 3-butyl-1-ethyl-8-hydrazinyl-7-methylpurine-2,6-dione is CCCCn1c(=O)n(CC)c(=O)c2c1nc(NN)n2C.
What is the InChIKey of 3-butyl-1-ethyl-8-hydrazinyl-7-methylpurine-2,6-dione?
The InChIKey is QECIJCDDFVAJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-4-6-7-18-9-8(16(3)11(14-9)15-13)10(19)17(5-2)12(18)20/h4-7,13H2,1-3H3,(H,14,15).
What are the key properties of 3-butyl-1-ethyl-8-hydrazinyl-7-methylpurine-2,6-dione?
3-butyl-1-ethyl-8-hydrazinyl-7-methylpurine-2,6-dione has a molecular weight of 280.33 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-ethyl-8-hydrazinyl-7-methylpurine-2,6-dione is sourced from PubChem (CID 82464779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).