5,8-difluoro-2-(furan-2-yl)-1,2-dihydroquinazolin-4-amine

C12H9F2N3O — CID 11010340

IUPAC5,8-difluoro-2-(furan-2-yl)-1,2-dihydroquinazolin-4-amine
SMILESNC1=NC(c2ccco2)Nc2c(F)ccc(F)c21
InChIInChI=1S/C12H9F2N3O/c13-6-3-4-7(14)10-9(6)11(15)17-12(16-10)8-2-1-5-18-8/h1-5,12,16H,(H2,15,17)
InChIKeyCEFKRUHXJVFJLI-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.39
Rot. Bonds1

About 5,8-difluoro-2-(furan-2-yl)-1,2-dihydroquinazolin-4-amine

5,8-difluoro-2-(furan-2-yl)-1,2-dihydroquinazolin-4-amine (PubChem CID 11010340) has the molecular formula C12H9F2N3O and a molecular weight of 249.22 g/mol. Its IUPAC name is 5,8-difluoro-2-(furan-2-yl)-1,2-dihydroquinazolin-4-amine.

Molecular Properties

Compound Name5,8-difluoro-2-(furan-2-yl)-1,2-dihydroquinazolin-4-amine
PubChem CID11010340
Molecular FormulaC12H9F2N3O
Molecular Weight249.22 g/mol
Exact Mass249.07
IUPAC Name5,8-difluoro-2-(furan-2-yl)-1,2-dihydroquinazolin-4-amine
SMILESNC1=NC(c2ccco2)Nc2c(F)ccc(F)c21
InChIInChI=1S/C12H9F2N3O/c13-6-3-4-7(14)10-9(6)11(15)17-12(16-10)8-2-1-5-18-8/h1-5,12,16H,(H2,15,17)
InChIKeyCEFKRUHXJVFJLI-UHFFFAOYSA-N
XLogP2.39
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-2-(furan-2-yl)-1,2-dihydroquinazolin-4-amine?
The IUPAC name of 5,8-difluoro-2-(furan-2-yl)-1,2-dihydroquinazolin-4-amine (CID 11010340) is 5,8-difluoro-2-(furan-2-yl)-1,2-dihydroquinazolin-4-amine.
What is the SMILES notation for 5,8-difluoro-2-(furan-2-yl)-1,2-dihydroquinazolin-4-amine?
The canonical SMILES for 5,8-difluoro-2-(furan-2-yl)-1,2-dihydroquinazolin-4-amine is NC1=NC(c2ccco2)Nc2c(F)ccc(F)c21.
What is the InChIKey of 5,8-difluoro-2-(furan-2-yl)-1,2-dihydroquinazolin-4-amine?
The InChIKey is CEFKRUHXJVFJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O/c13-6-3-4-7(14)10-9(6)11(15)17-12(16-10)8-2-1-5-18-8/h1-5,12,16H,(H2,15,17).
What are the key properties of 5,8-difluoro-2-(furan-2-yl)-1,2-dihydroquinazolin-4-amine?
5,8-difluoro-2-(furan-2-yl)-1,2-dihydroquinazolin-4-amine has a molecular weight of 249.22 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-2-(furan-2-yl)-1,2-dihydroquinazolin-4-amine is sourced from PubChem (CID 11010340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).