6-[(3-fluorophenyl)diazenyl]-N-(2-phenoxyethyl)-7H-purin-2-amine

C19H16FN7O — CID 164623586

IUPAC6-[(3-fluorophenyl)diazenyl]-N-(2-phenoxyethyl)-7H-purin-2-amine
SMILESFc1cccc(/N=N/c2nc(NCCOc3ccccc3)nc3nc[nH]c23)c1
InChIInChI=1S/C19H16FN7O/c20-13-5-4-6-14(11-13)26-27-18-16-17(23-12-22-16)24-19(25-18)21-9-10-28-15-7-2-1-3-8-15/h1-8,11-12H,9-10H2,(H2,21,22,23,24,25)/b27-26+
InChIKeyHEADPBLPCICJTD-CYYJNZCTSA-N
MW377.38 g/mol
LogP4.40
Rot. Bonds7

About 6-[(3-fluorophenyl)diazenyl]-N-(2-phenoxyethyl)-7H-purin-2-amine

6-[(3-fluorophenyl)diazenyl]-N-(2-phenoxyethyl)-7H-purin-2-amine (PubChem CID 164623586) has the molecular formula C19H16FN7O and a molecular weight of 377.38 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)diazenyl]-N-(2-phenoxyethyl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-[(3-fluorophenyl)diazenyl]-N-(2-phenoxyethyl)-7H-purin-2-amine
PubChem CID164623586
Molecular FormulaC19H16FN7O
Molecular Weight377.38 g/mol
Exact Mass377.14
IUPAC Name6-[(3-fluorophenyl)diazenyl]-N-(2-phenoxyethyl)-7H-purin-2-amine
SMILESFc1cccc(/N=N/c2nc(NCCOc3ccccc3)nc3nc[nH]c23)c1
InChIInChI=1S/C19H16FN7O/c20-13-5-4-6-14(11-13)26-27-18-16-17(23-12-22-16)24-19(25-18)21-9-10-28-15-7-2-1-3-8-15/h1-8,11-12H,9-10H2,(H2,21,22,23,24,25)/b27-26+
InChIKeyHEADPBLPCICJTD-CYYJNZCTSA-N
XLogP4.40
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)diazenyl]-N-(2-phenoxyethyl)-7H-purin-2-amine?
The IUPAC name of 6-[(3-fluorophenyl)diazenyl]-N-(2-phenoxyethyl)-7H-purin-2-amine (CID 164623586) is 6-[(3-fluorophenyl)diazenyl]-N-(2-phenoxyethyl)-7H-purin-2-amine.
What is the SMILES notation for 6-[(3-fluorophenyl)diazenyl]-N-(2-phenoxyethyl)-7H-purin-2-amine?
The canonical SMILES for 6-[(3-fluorophenyl)diazenyl]-N-(2-phenoxyethyl)-7H-purin-2-amine is Fc1cccc(/N=N/c2nc(NCCOc3ccccc3)nc3nc[nH]c23)c1.
What is the InChIKey of 6-[(3-fluorophenyl)diazenyl]-N-(2-phenoxyethyl)-7H-purin-2-amine?
The InChIKey is HEADPBLPCICJTD-CYYJNZCTSA-N. The full InChI is InChI=1S/C19H16FN7O/c20-13-5-4-6-14(11-13)26-27-18-16-17(23-12-22-16)24-19(25-18)21-9-10-28-15-7-2-1-3-8-15/h1-8,11-12H,9-10H2,(H2,21,22,23,24,25)/b27-26+.
What are the key properties of 6-[(3-fluorophenyl)diazenyl]-N-(2-phenoxyethyl)-7H-purin-2-amine?
6-[(3-fluorophenyl)diazenyl]-N-(2-phenoxyethyl)-7H-purin-2-amine has a molecular weight of 377.38 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)diazenyl]-N-(2-phenoxyethyl)-7H-purin-2-amine is sourced from PubChem (CID 164623586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).