[9-ethyl-2-[2-(2-fluorophenyl)ethyl]purin-6-yl]hydrazine

C15H17FN6 — CID 91287110

IUPAC[9-ethyl-2-[2-(2-fluorophenyl)ethyl]purin-6-yl]hydrazine
SMILESCCn1cnc2c(NN)nc(CCc3ccccc3F)nc21
InChIInChI=1S/C15H17FN6/c1-2-22-9-18-13-14(21-17)19-12(20-15(13)22)8-7-10-5-3-4-6-11(10)16/h3-6,9H,2,7-8,17H2,1H3,(H,19,20,21)
InChIKeyITGNATOFEQONKM-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.06
Rot. Bonds5

About [9-ethyl-2-[2-(2-fluorophenyl)ethyl]purin-6-yl]hydrazine

[9-ethyl-2-[2-(2-fluorophenyl)ethyl]purin-6-yl]hydrazine (PubChem CID 91287110) has the molecular formula C15H17FN6 and a molecular weight of 300.34 g/mol. Its IUPAC name is [9-ethyl-2-[2-(2-fluorophenyl)ethyl]purin-6-yl]hydrazine.

Molecular Properties

Compound Name[9-ethyl-2-[2-(2-fluorophenyl)ethyl]purin-6-yl]hydrazine
PubChem CID91287110
Molecular FormulaC15H17FN6
Molecular Weight300.34 g/mol
Exact Mass300.15
IUPAC Name[9-ethyl-2-[2-(2-fluorophenyl)ethyl]purin-6-yl]hydrazine
SMILESCCn1cnc2c(NN)nc(CCc3ccccc3F)nc21
InChIInChI=1S/C15H17FN6/c1-2-22-9-18-13-14(21-17)19-12(20-15(13)22)8-7-10-5-3-4-6-11(10)16/h3-6,9H,2,7-8,17H2,1H3,(H,19,20,21)
InChIKeyITGNATOFEQONKM-UHFFFAOYSA-N
XLogP2.06
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 [9-ethyl-2-[2-(2-fluorophenyl)ethyl]purin-6-yl]hydrazine?
The IUPAC name of [9-ethyl-2-[2-(2-fluorophenyl)ethyl]purin-6-yl]hydrazine (CID 91287110) is [9-ethyl-2-[2-(2-fluorophenyl)ethyl]purin-6-yl]hydrazine.
What is the SMILES notation for [9-ethyl-2-[2-(2-fluorophenyl)ethyl]purin-6-yl]hydrazine?
The canonical SMILES for [9-ethyl-2-[2-(2-fluorophenyl)ethyl]purin-6-yl]hydrazine is CCn1cnc2c(NN)nc(CCc3ccccc3F)nc21.
What is the InChIKey of [9-ethyl-2-[2-(2-fluorophenyl)ethyl]purin-6-yl]hydrazine?
The InChIKey is ITGNATOFEQONKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6/c1-2-22-9-18-13-14(21-17)19-12(20-15(13)22)8-7-10-5-3-4-6-11(10)16/h3-6,9H,2,7-8,17H2,1H3,(H,19,20,21).
What are the key properties of [9-ethyl-2-[2-(2-fluorophenyl)ethyl]purin-6-yl]hydrazine?
[9-ethyl-2-[2-(2-fluorophenyl)ethyl]purin-6-yl]hydrazine has a molecular weight of 300.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-ethyl-2-[2-(2-fluorophenyl)ethyl]purin-6-yl]hydrazine is sourced from PubChem (CID 91287110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).