3-butan-2-yl-8-hydrazinyl-7-methylpurine-2,6-dione

C10H16N6O2 — CID 82464271

IUPAC3-butan-2-yl-8-hydrazinyl-7-methylpurine-2,6-dione
SMILESCCC(C)n1c(=O)[nH]c(=O)c2c1nc(NN)n2C
InChIInChI=1S/C10H16N6O2/c1-4-5(2)16-7-6(8(17)13-10(16)18)15(3)9(12-7)14-11/h5H,4,11H2,1-3H3,(H,12,14)(H,13,17,18)
InChIKeyZBBMLZTYVXKCKR-UHFFFAOYSA-N
MW252.28 g/mol
LogP-0.32
Rot. Bonds3

About 3-butan-2-yl-8-hydrazinyl-7-methylpurine-2,6-dione

3-butan-2-yl-8-hydrazinyl-7-methylpurine-2,6-dione (PubChem CID 82464271) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-butan-2-yl-8-hydrazinyl-7-methylpurine-2,6-dione.

Molecular Properties

Compound Name3-butan-2-yl-8-hydrazinyl-7-methylpurine-2,6-dione
PubChem CID82464271
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name3-butan-2-yl-8-hydrazinyl-7-methylpurine-2,6-dione
SMILESCCC(C)n1c(=O)[nH]c(=O)c2c1nc(NN)n2C
InChIInChI=1S/C10H16N6O2/c1-4-5(2)16-7-6(8(17)13-10(16)18)15(3)9(12-7)14-11/h5H,4,11H2,1-3H3,(H,12,14)(H,13,17,18)
InChIKeyZBBMLZTYVXKCKR-UHFFFAOYSA-N
XLogP-0.32
TPSA110.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-butan-2-yl-8-hydrazinyl-7-methylpurine-2,6-dione with MolForge

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Related Compounds

8-(3-aminopropylamino)-3-butan-2-yl-7-methylpurine-2,6-dione
CID 82464265
8-(ethylamino)-7-methyl-3-propan-2-ylpurine-2,6-dione
CID 82464051
8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione
CID 776144
8-hydrazinyl-1,7-dimethyl-3-propan-2-ylpurine-2,6-dione
CID 82464557
3-butan-2-yl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione
CID 82464855
3-ethyl-7-methyl-8-(methylamino)purine-2,6-dione
CID 82463994
7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione
CID 3144865
8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione
CID 823143
8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CID 3123512
8-(bromomethyl)-3-butan-2-yl-7H-purine-2,6-dione
CID 82465330
8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione
CID 82464133
2-[(3,7-dimethyl-2,6-dioxopurin-8-yl)amino]acetic acid
CID 5136088

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-8-hydrazinyl-7-methylpurine-2,6-dione?
The IUPAC name of 3-butan-2-yl-8-hydrazinyl-7-methylpurine-2,6-dione (CID 82464271) is 3-butan-2-yl-8-hydrazinyl-7-methylpurine-2,6-dione.
What is the SMILES notation for 3-butan-2-yl-8-hydrazinyl-7-methylpurine-2,6-dione?
The canonical SMILES for 3-butan-2-yl-8-hydrazinyl-7-methylpurine-2,6-dione is CCC(C)n1c(=O)[nH]c(=O)c2c1nc(NN)n2C.
What is the InChIKey of 3-butan-2-yl-8-hydrazinyl-7-methylpurine-2,6-dione?
The InChIKey is ZBBMLZTYVXKCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c1-4-5(2)16-7-6(8(17)13-10(16)18)15(3)9(12-7)14-11/h5H,4,11H2,1-3H3,(H,12,14)(H,13,17,18).
What are the key properties of 3-butan-2-yl-8-hydrazinyl-7-methylpurine-2,6-dione?
3-butan-2-yl-8-hydrazinyl-7-methylpurine-2,6-dione has a molecular weight of 252.28 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-8-hydrazinyl-7-methylpurine-2,6-dione is sourced from PubChem (CID 82464271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).