4-(trifluoromethyl)quinazolin-6-amine

C9H6F3N3 — CID 105466490

IUPAC4-(trifluoromethyl)quinazolin-6-amine
SMILESNc1ccc2ncnc(C(F)(F)F)c2c1
InChIInChI=1S/C9H6F3N3/c10-9(11,12)8-6-3-5(13)1-2-7(6)14-4-15-8/h1-4H,13H2
InChIKeyFEZHIHQQJSJLQU-UHFFFAOYSA-N
MW213.16 g/mol
LogP2.23
Rot. Bonds

About 4-(trifluoromethyl)quinazolin-6-amine

4-(trifluoromethyl)quinazolin-6-amine (PubChem CID 105466490) has the molecular formula C9H6F3N3 and a molecular weight of 213.16 g/mol. Its IUPAC name is 4-(trifluoromethyl)quinazolin-6-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)quinazolin-6-amine
PubChem CID105466490
Molecular FormulaC9H6F3N3
Molecular Weight213.16 g/mol
Exact Mass213.05
IUPAC Name4-(trifluoromethyl)quinazolin-6-amine
SMILESNc1ccc2ncnc(C(F)(F)F)c2c1
InChIInChI=1S/C9H6F3N3/c10-9(11,12)8-6-3-5(13)1-2-7(6)14-4-15-8/h1-4H,13H2
InChIKeyFEZHIHQQJSJLQU-UHFFFAOYSA-N
XLogP2.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)quinazolin-6-amine?
The IUPAC name of 4-(trifluoromethyl)quinazolin-6-amine (CID 105466490) is 4-(trifluoromethyl)quinazolin-6-amine.
What is the SMILES notation for 4-(trifluoromethyl)quinazolin-6-amine?
The canonical SMILES for 4-(trifluoromethyl)quinazolin-6-amine is Nc1ccc2ncnc(C(F)(F)F)c2c1.
What is the InChIKey of 4-(trifluoromethyl)quinazolin-6-amine?
The InChIKey is FEZHIHQQJSJLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3/c10-9(11,12)8-6-3-5(13)1-2-7(6)14-4-15-8/h1-4H,13H2.
What are the key properties of 4-(trifluoromethyl)quinazolin-6-amine?
4-(trifluoromethyl)quinazolin-6-amine has a molecular weight of 213.16 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)quinazolin-6-amine is sourced from PubChem (CID 105466490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).