6-cyclobutyl-4-(trifluoromethyl)quinazolin-2-amine

C13H12F3N3 — CID 25255824

IUPAC6-cyclobutyl-4-(trifluoromethyl)quinazolin-2-amine
SMILESNc1nc(C(F)(F)F)c2cc(C3CCC3)ccc2n1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)11-9-6-8(7-2-1-3-7)4-5-10(9)18-12(17)19-11/h4-7H,1-3H2,(H2,17,18,19)
InChIKeyVZVSOVLTVOGRQK-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.50
Rot. Bonds1

About 6-cyclobutyl-4-(trifluoromethyl)quinazolin-2-amine

6-cyclobutyl-4-(trifluoromethyl)quinazolin-2-amine (PubChem CID 25255824) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 6-cyclobutyl-4-(trifluoromethyl)quinazolin-2-amine.

Molecular Properties

Compound Name6-cyclobutyl-4-(trifluoromethyl)quinazolin-2-amine
PubChem CID25255824
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name6-cyclobutyl-4-(trifluoromethyl)quinazolin-2-amine
SMILESNc1nc(C(F)(F)F)c2cc(C3CCC3)ccc2n1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)11-9-6-8(7-2-1-3-7)4-5-10(9)18-12(17)19-11/h4-7H,1-3H2,(H2,17,18,19)
InChIKeyVZVSOVLTVOGRQK-UHFFFAOYSA-N
XLogP3.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-4-(trifluoromethyl)quinazolin-2-amine?
The IUPAC name of 6-cyclobutyl-4-(trifluoromethyl)quinazolin-2-amine (CID 25255824) is 6-cyclobutyl-4-(trifluoromethyl)quinazolin-2-amine.
What is the SMILES notation for 6-cyclobutyl-4-(trifluoromethyl)quinazolin-2-amine?
The canonical SMILES for 6-cyclobutyl-4-(trifluoromethyl)quinazolin-2-amine is Nc1nc(C(F)(F)F)c2cc(C3CCC3)ccc2n1.
What is the InChIKey of 6-cyclobutyl-4-(trifluoromethyl)quinazolin-2-amine?
The InChIKey is VZVSOVLTVOGRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c14-13(15,16)11-9-6-8(7-2-1-3-7)4-5-10(9)18-12(17)19-11/h4-7H,1-3H2,(H2,17,18,19).
What are the key properties of 6-cyclobutyl-4-(trifluoromethyl)quinazolin-2-amine?
6-cyclobutyl-4-(trifluoromethyl)quinazolin-2-amine has a molecular weight of 267.25 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-4-(trifluoromethyl)quinazolin-2-amine is sourced from PubChem (CID 25255824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).