2-(2,6-difluoro-3-methylphenyl)-6-fluoroquinazolin-4-amine

C15H10F3N3 — CID 82800514

IUPAC2-(2,6-difluoro-3-methylphenyl)-6-fluoroquinazolin-4-amine
SMILESCc1ccc(F)c(-c2nc(N)c3cc(F)ccc3n2)c1F
InChIInChI=1S/C15H10F3N3/c1-7-2-4-10(17)12(13(7)18)15-20-11-5-3-8(16)6-9(11)14(19)21-15/h2-6H,1H3,(H2,19,20,21)
InChIKeyXHDFNWCXKFFPDZ-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.60
Rot. Bonds1

About 2-(2,6-difluoro-3-methylphenyl)-6-fluoroquinazolin-4-amine

2-(2,6-difluoro-3-methylphenyl)-6-fluoroquinazolin-4-amine (PubChem CID 82800514) has the molecular formula C15H10F3N3 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methylphenyl)-6-fluoroquinazolin-4-amine.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methylphenyl)-6-fluoroquinazolin-4-amine
PubChem CID82800514
Molecular FormulaC15H10F3N3
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name2-(2,6-difluoro-3-methylphenyl)-6-fluoroquinazolin-4-amine
SMILESCc1ccc(F)c(-c2nc(N)c3cc(F)ccc3n2)c1F
InChIInChI=1S/C15H10F3N3/c1-7-2-4-10(17)12(13(7)18)15-20-11-5-3-8(16)6-9(11)14(19)21-15/h2-6H,1H3,(H2,19,20,21)
InChIKeyXHDFNWCXKFFPDZ-UHFFFAOYSA-N
XLogP3.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methylphenyl)-6-fluoroquinazolin-4-amine?
The IUPAC name of 2-(2,6-difluoro-3-methylphenyl)-6-fluoroquinazolin-4-amine (CID 82800514) is 2-(2,6-difluoro-3-methylphenyl)-6-fluoroquinazolin-4-amine.
What is the SMILES notation for 2-(2,6-difluoro-3-methylphenyl)-6-fluoroquinazolin-4-amine?
The canonical SMILES for 2-(2,6-difluoro-3-methylphenyl)-6-fluoroquinazolin-4-amine is Cc1ccc(F)c(-c2nc(N)c3cc(F)ccc3n2)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-methylphenyl)-6-fluoroquinazolin-4-amine?
The InChIKey is XHDFNWCXKFFPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3/c1-7-2-4-10(17)12(13(7)18)15-20-11-5-3-8(16)6-9(11)14(19)21-15/h2-6H,1H3,(H2,19,20,21).
What are the key properties of 2-(2,6-difluoro-3-methylphenyl)-6-fluoroquinazolin-4-amine?
2-(2,6-difluoro-3-methylphenyl)-6-fluoroquinazolin-4-amine has a molecular weight of 289.26 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-methylphenyl)-6-fluoroquinazolin-4-amine is sourced from PubChem (CID 82800514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).