6-(trifluoromethoxy)quinazolin-4-amine

C9H6F3N3O — CID 156900146

IUPAC6-(trifluoromethoxy)quinazolin-4-amine
SMILESNc1ncnc2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)16-5-1-2-7-6(3-5)8(13)15-4-14-7/h1-4H,(H2,13,14,15)
InChIKeyUTJIGGMGNFDRKY-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.11
Rot. Bonds1

About 6-(trifluoromethoxy)quinazolin-4-amine

6-(trifluoromethoxy)quinazolin-4-amine (PubChem CID 156900146) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 6-(trifluoromethoxy)quinazolin-4-amine.

Molecular Properties

Compound Name6-(trifluoromethoxy)quinazolin-4-amine
PubChem CID156900146
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name6-(trifluoromethoxy)quinazolin-4-amine
SMILESNc1ncnc2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)16-5-1-2-7-6(3-5)8(13)15-4-14-7/h1-4H,(H2,13,14,15)
InChIKeyUTJIGGMGNFDRKY-UHFFFAOYSA-N
XLogP2.11
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)quinazolin-4-amine?
The IUPAC name of 6-(trifluoromethoxy)quinazolin-4-amine (CID 156900146) is 6-(trifluoromethoxy)quinazolin-4-amine.
What is the SMILES notation for 6-(trifluoromethoxy)quinazolin-4-amine?
The canonical SMILES for 6-(trifluoromethoxy)quinazolin-4-amine is Nc1ncnc2ccc(OC(F)(F)F)cc12.
What is the InChIKey of 6-(trifluoromethoxy)quinazolin-4-amine?
The InChIKey is UTJIGGMGNFDRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c10-9(11,12)16-5-1-2-7-6(3-5)8(13)15-4-14-7/h1-4H,(H2,13,14,15).
What are the key properties of 6-(trifluoromethoxy)quinazolin-4-amine?
6-(trifluoromethoxy)quinazolin-4-amine has a molecular weight of 229.16 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethoxy)quinazolin-4-amine is sourced from PubChem (CID 156900146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).