6-amino-8-[(E)-[2-hydroxyethyl(propan-2-yl)amino]diazenyl]-1,7-dihydropurin-2-one

C10H16N8O2 — CID 137309433

IUPAC6-amino-8-[(E)-[2-hydroxyethyl(propan-2-yl)amino]diazenyl]-1,7-dihydropurin-2-one
SMILESCC(C)N(CCO)/N=N/c1nc2nc(=O)[nH]c(N)c2[nH]1
InChIInChI=1S/C10H16N8O2/c1-5(2)18(3-4-19)17-16-9-12-6-7(11)13-10(20)15-8(6)14-9/h5,19H,3-4H2,1-2H3,(H4,11,12,13,14,15,20)/b17-16+
InChIKeyCJOSQMJFVWPUME-WUKNDPDISA-N
MW280.29 g/mol
LogP-0.07
Rot. Bonds5

About 6-amino-8-[(E)-[2-hydroxyethyl(propan-2-yl)amino]diazenyl]-1,7-dihydropurin-2-one

6-amino-8-[(E)-[2-hydroxyethyl(propan-2-yl)amino]diazenyl]-1,7-dihydropurin-2-one (PubChem CID 137309433) has the molecular formula C10H16N8O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 6-amino-8-[(E)-[2-hydroxyethyl(propan-2-yl)amino]diazenyl]-1,7-dihydropurin-2-one.

Molecular Properties

Compound Name6-amino-8-[(E)-[2-hydroxyethyl(propan-2-yl)amino]diazenyl]-1,7-dihydropurin-2-one
PubChem CID137309433
Molecular FormulaC10H16N8O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name6-amino-8-[(E)-[2-hydroxyethyl(propan-2-yl)amino]diazenyl]-1,7-dihydropurin-2-one
SMILESCC(C)N(CCO)/N=N/c1nc2nc(=O)[nH]c(N)c2[nH]1
InChIInChI=1S/C10H16N8O2/c1-5(2)18(3-4-19)17-16-9-12-6-7(11)13-10(20)15-8(6)14-9/h5,19H,3-4H2,1-2H3,(H4,11,12,13,14,15,20)/b17-16+
InChIKeyCJOSQMJFVWPUME-WUKNDPDISA-N
XLogP-0.07
TPSA148.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-8-[(E)-[2-hydroxyethyl(propan-2-yl)amino]diazenyl]-1,7-dihydropurin-2-one?
The IUPAC name of 6-amino-8-[(E)-[2-hydroxyethyl(propan-2-yl)amino]diazenyl]-1,7-dihydropurin-2-one (CID 137309433) is 6-amino-8-[(E)-[2-hydroxyethyl(propan-2-yl)amino]diazenyl]-1,7-dihydropurin-2-one.
What is the SMILES notation for 6-amino-8-[(E)-[2-hydroxyethyl(propan-2-yl)amino]diazenyl]-1,7-dihydropurin-2-one?
The canonical SMILES for 6-amino-8-[(E)-[2-hydroxyethyl(propan-2-yl)amino]diazenyl]-1,7-dihydropurin-2-one is CC(C)N(CCO)/N=N/c1nc2nc(=O)[nH]c(N)c2[nH]1.
What is the InChIKey of 6-amino-8-[(E)-[2-hydroxyethyl(propan-2-yl)amino]diazenyl]-1,7-dihydropurin-2-one?
The InChIKey is CJOSQMJFVWPUME-WUKNDPDISA-N. The full InChI is InChI=1S/C10H16N8O2/c1-5(2)18(3-4-19)17-16-9-12-6-7(11)13-10(20)15-8(6)14-9/h5,19H,3-4H2,1-2H3,(H4,11,12,13,14,15,20)/b17-16+.
What are the key properties of 6-amino-8-[(E)-[2-hydroxyethyl(propan-2-yl)amino]diazenyl]-1,7-dihydropurin-2-one?
6-amino-8-[(E)-[2-hydroxyethyl(propan-2-yl)amino]diazenyl]-1,7-dihydropurin-2-one has a molecular weight of 280.29 g/mol, XLogP of -0.07, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-[(E)-[2-hydroxyethyl(propan-2-yl)amino]diazenyl]-1,7-dihydropurin-2-one is sourced from PubChem (CID 137309433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).