5-fluoro-1,4-dihydroquinazolin-2-amine;hydroiodide

C8H9FIN3 — CID 45266025

IUPAC5-fluoro-1,4-dihydroquinazolin-2-amine;hydroiodide
SMILESI.NC1=NCc2c(F)cccc2N1
InChIInChI=1S/C8H8FN3.HI/c9-6-2-1-3-7-5(6)4-11-8(10)12-7;/h1-3H,4H2,(H3,10,11,12);1H
InChIKeyCINLJSLPWMNWSD-UHFFFAOYSA-N
MW293.08 g/mol
LogP1.68
Rot. Bonds

About 5-fluoro-1,4-dihydroquinazolin-2-amine;hydroiodide

5-fluoro-1,4-dihydroquinazolin-2-amine;hydroiodide (PubChem CID 45266025) has the molecular formula C8H9FIN3 and a molecular weight of 293.08 g/mol. Its IUPAC name is 5-fluoro-1,4-dihydroquinazolin-2-amine;hydroiodide.

Molecular Properties

Compound Name5-fluoro-1,4-dihydroquinazolin-2-amine;hydroiodide
PubChem CID45266025
Molecular FormulaC8H9FIN3
Molecular Weight293.08 g/mol
Exact Mass292.98
IUPAC Name5-fluoro-1,4-dihydroquinazolin-2-amine;hydroiodide
SMILESI.NC1=NCc2c(F)cccc2N1
InChIInChI=1S/C8H8FN3.HI/c9-6-2-1-3-7-5(6)4-11-8(10)12-7;/h1-3H,4H2,(H3,10,11,12);1H
InChIKeyCINLJSLPWMNWSD-UHFFFAOYSA-N
XLogP1.68
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.08
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,4-dihydroquinazolin-2-amine;hydroiodide?
The IUPAC name of 5-fluoro-1,4-dihydroquinazolin-2-amine;hydroiodide (CID 45266025) is 5-fluoro-1,4-dihydroquinazolin-2-amine;hydroiodide.
What is the SMILES notation for 5-fluoro-1,4-dihydroquinazolin-2-amine;hydroiodide?
The canonical SMILES for 5-fluoro-1,4-dihydroquinazolin-2-amine;hydroiodide is I.NC1=NCc2c(F)cccc2N1.
What is the InChIKey of 5-fluoro-1,4-dihydroquinazolin-2-amine;hydroiodide?
The InChIKey is CINLJSLPWMNWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3.HI/c9-6-2-1-3-7-5(6)4-11-8(10)12-7;/h1-3H,4H2,(H3,10,11,12);1H.
What are the key properties of 5-fluoro-1,4-dihydroquinazolin-2-amine;hydroiodide?
5-fluoro-1,4-dihydroquinazolin-2-amine;hydroiodide has a molecular weight of 293.08 g/mol, XLogP of 1.68, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,4-dihydroquinazolin-2-amine;hydroiodide is sourced from PubChem (CID 45266025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).