7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione

C9H15N7O2 — CID 12506348

IUPAC7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(nc(NN)n2CCN)n(C)c1=O
InChIInChI=1S/C9H15N7O2/c1-14-6-5(7(17)15(2)9(14)18)16(4-3-10)8(12-6)13-11/h3-4,10-11H2,1-2H3,(H,12,13)
InChIKeyIOZLIDDPQJKDAU-UHFFFAOYSA-N
MW253.27 g/mol
LogP-2.32
Rot. Bonds3

About 7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione

7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione (PubChem CID 12506348) has the molecular formula C9H15N7O2 and a molecular weight of 253.27 g/mol. Its IUPAC name is 7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
PubChem CID12506348
Molecular FormulaC9H15N7O2
Molecular Weight253.27 g/mol
Exact Mass253.13
IUPAC Name7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(nc(NN)n2CCN)n(C)c1=O
InChIInChI=1S/C9H15N7O2/c1-14-6-5(7(17)15(2)9(14)18)16(4-3-10)8(12-6)13-11/h3-4,10-11H2,1-2H3,(H,12,13)
InChIKeyIOZLIDDPQJKDAU-UHFFFAOYSA-N
XLogP-2.32
TPSA125.89 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 5-2.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-(2,3-dihydroxypropyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 3144866
7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 839657
7-[(E)-3-chlorobut-2-enyl]-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 6341383
8-hydrazinyl-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione
CID 53275855
8-chloro-1,3,7-trimethylpurine-2,6-dione;8-hydrazinyl-1,3,7-trimethylpurine-2,6-dione
CID 135379902
8-(2-aminoethylamino)-7-butyl-1,3-dimethylpurine-2,6-dione
CID 82463924
7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 51058603
8-hydrazinyl-7-[(2R)-2-hydroxy-2-phenylethyl]-1,3-dimethylpurine-2,6-dione
CID 1402237
7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione
CID 719396
8-(3-aminopropylamino)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione
CID 82463911
8-(butan-2-ylamino)-7-ethyl-1,3-dimethylpurine-2,6-dione
CID 16805287
7-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 980840

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione (CID 12506348) is 7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione is Cn1c(=O)c2c(nc(NN)n2CCN)n(C)c1=O.
What is the InChIKey of 7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione?
The InChIKey is IOZLIDDPQJKDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7O2/c1-14-6-5(7(17)15(2)9(14)18)16(4-3-10)8(12-6)13-11/h3-4,10-11H2,1-2H3,(H,12,13).
What are the key properties of 7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione?
7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione has a molecular weight of 253.27 g/mol, XLogP of -2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 12506348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).