8-hydrazinyl-1,7-dimethyl-3-propan-2-ylpurine-2,6-dione

C10H16N6O2 — CID 82464557

IUPAC8-hydrazinyl-1,7-dimethyl-3-propan-2-ylpurine-2,6-dione
SMILESCC(C)n1c(=O)n(C)c(=O)c2c1nc(NN)n2C
InChIInChI=1S/C10H16N6O2/c1-5(2)16-7-6(8(17)15(4)10(16)18)14(3)9(12-7)13-11/h5H,11H2,1-4H3,(H,12,13)
InChIKeyIUZMOHMPPGLSOX-UHFFFAOYSA-N
MW252.28 g/mol
LogP-0.70
Rot. Bonds2

About 8-hydrazinyl-1,7-dimethyl-3-propan-2-ylpurine-2,6-dione

8-hydrazinyl-1,7-dimethyl-3-propan-2-ylpurine-2,6-dione (PubChem CID 82464557) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 8-hydrazinyl-1,7-dimethyl-3-propan-2-ylpurine-2,6-dione.

Molecular Properties

Compound Name8-hydrazinyl-1,7-dimethyl-3-propan-2-ylpurine-2,6-dione
PubChem CID82464557
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name8-hydrazinyl-1,7-dimethyl-3-propan-2-ylpurine-2,6-dione
SMILESCC(C)n1c(=O)n(C)c(=O)c2c1nc(NN)n2C
InChIInChI=1S/C10H16N6O2/c1-5(2)16-7-6(8(17)15(4)10(16)18)14(3)9(12-7)13-11/h5H,11H2,1-4H3,(H,12,13)
InChIKeyIUZMOHMPPGLSOX-UHFFFAOYSA-N
XLogP-0.70
TPSA99.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-0.70
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-chloro-1,3,7-trimethylpurine-2,6-dione;8-hydrazinyl-1,3,7-trimethylpurine-2,6-dione
CID 135379902
7-ethyl-8-(ethylamino)-1-methyl-3-propan-2-ylpurine-2,6-dione
CID 82464522
3-butan-2-yl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione
CID 82464855
1-ethyl-8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione
CID 82464565
3-butan-2-yl-8-hydrazinyl-7-methylpurine-2,6-dione
CID 82464271
3-butyl-1-ethyl-8-hydrazinyl-7-methylpurine-2,6-dione
CID 82464779
7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 12506348
8-amino-3-butan-2-yl-1,7-dimethylpurine-2,6-dione
CID 82464848
8-[[(2S)-butan-2-yl]amino]-1,3,7-trimethylpurine-2,6-dione
CID 40535568
7-(2,3-dihydroxypropyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 3144866
1,7-dimethyl-8-(methylamino)-3-(2-methylpropyl)purine-2,6-dione
CID 82464966
1-ethyl-7-methyl-8-(methylaminomethyl)-3-propan-2-ylpurine-2,6-dione
CID 82464569

Frequently Asked Questions

What is the IUPAC name of 8-hydrazinyl-1,7-dimethyl-3-propan-2-ylpurine-2,6-dione?
The IUPAC name of 8-hydrazinyl-1,7-dimethyl-3-propan-2-ylpurine-2,6-dione (CID 82464557) is 8-hydrazinyl-1,7-dimethyl-3-propan-2-ylpurine-2,6-dione.
What is the SMILES notation for 8-hydrazinyl-1,7-dimethyl-3-propan-2-ylpurine-2,6-dione?
The canonical SMILES for 8-hydrazinyl-1,7-dimethyl-3-propan-2-ylpurine-2,6-dione is CC(C)n1c(=O)n(C)c(=O)c2c1nc(NN)n2C.
What is the InChIKey of 8-hydrazinyl-1,7-dimethyl-3-propan-2-ylpurine-2,6-dione?
The InChIKey is IUZMOHMPPGLSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c1-5(2)16-7-6(8(17)15(4)10(16)18)14(3)9(12-7)13-11/h5H,11H2,1-4H3,(H,12,13).
What are the key properties of 8-hydrazinyl-1,7-dimethyl-3-propan-2-ylpurine-2,6-dione?
8-hydrazinyl-1,7-dimethyl-3-propan-2-ylpurine-2,6-dione has a molecular weight of 252.28 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydrazinyl-1,7-dimethyl-3-propan-2-ylpurine-2,6-dione is sourced from PubChem (CID 82464557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).