5-(trifluoromethyl)quinazolin-2-amine

C9H6F3N3 — CID 10488765

IUPAC5-(trifluoromethyl)quinazolin-2-amine
SMILESNc1ncc2c(C(F)(F)F)cccc2n1
InChIInChI=1S/C9H6F3N3/c10-9(11,12)6-2-1-3-7-5(6)4-14-8(13)15-7/h1-4H,(H2,13,14,15)
InChIKeyHTNKVZXYIUDZEK-UHFFFAOYSA-N
MW213.16 g/mol
LogP2.23
Rot. Bonds

About 5-(trifluoromethyl)quinazolin-2-amine

5-(trifluoromethyl)quinazolin-2-amine (PubChem CID 10488765) has the molecular formula C9H6F3N3 and a molecular weight of 213.16 g/mol. Its IUPAC name is 5-(trifluoromethyl)quinazolin-2-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)quinazolin-2-amine
PubChem CID10488765
Molecular FormulaC9H6F3N3
Molecular Weight213.16 g/mol
Exact Mass213.05
IUPAC Name5-(trifluoromethyl)quinazolin-2-amine
SMILESNc1ncc2c(C(F)(F)F)cccc2n1
InChIInChI=1S/C9H6F3N3/c10-9(11,12)6-2-1-3-7-5(6)4-14-8(13)15-7/h1-4H,(H2,13,14,15)
InChIKeyHTNKVZXYIUDZEK-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

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)quinazolin-2-amine?
The IUPAC name of 5-(trifluoromethyl)quinazolin-2-amine (CID 10488765) is 5-(trifluoromethyl)quinazolin-2-amine.
What is the SMILES notation for 5-(trifluoromethyl)quinazolin-2-amine?
The canonical SMILES for 5-(trifluoromethyl)quinazolin-2-amine is Nc1ncc2c(C(F)(F)F)cccc2n1.
What is the InChIKey of 5-(trifluoromethyl)quinazolin-2-amine?
The InChIKey is HTNKVZXYIUDZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3/c10-9(11,12)6-2-1-3-7-5(6)4-14-8(13)15-7/h1-4H,(H2,13,14,15).
What are the key properties of 5-(trifluoromethyl)quinazolin-2-amine?
5-(trifluoromethyl)quinazolin-2-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 5-(trifluoromethyl)quinazolin-2-amine is sourced from PubChem (CID 10488765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).