2-pyrazin-2-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine

C19H12F3N5O — CID 71180611

IUPAC2-pyrazin-2-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine
SMILESFC(F)(F)Oc1cccc(Nc2nc(-c3cnccn3)nc3ccccc23)c1
InChIInChI=1S/C19H12F3N5O/c20-19(21,22)28-13-5-3-4-12(10-13)25-17-14-6-1-2-7-15(14)26-18(27-17)16-11-23-8-9-24-16/h1-11H,(H,25,26,27)
InChIKeyVZIHCZIDMKZXER-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.73
Rot. Bonds4

About 2-pyrazin-2-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine

2-pyrazin-2-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine (PubChem CID 71180611) has the molecular formula C19H12F3N5O and a molecular weight of 383.33 g/mol. Its IUPAC name is 2-pyrazin-2-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-pyrazin-2-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine
PubChem CID71180611
Molecular FormulaC19H12F3N5O
Molecular Weight383.33 g/mol
Exact Mass383.10
IUPAC Name2-pyrazin-2-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine
SMILESFC(F)(F)Oc1cccc(Nc2nc(-c3cnccn3)nc3ccccc23)c1
InChIInChI=1S/C19H12F3N5O/c20-19(21,22)28-13-5-3-4-12(10-13)25-17-14-6-1-2-7-15(14)26-18(27-17)16-11-23-8-9-24-16/h1-11H,(H,25,26,27)
InChIKeyVZIHCZIDMKZXER-UHFFFAOYSA-N
XLogP4.73
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-pyrazin-2-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The IUPAC name of 2-pyrazin-2-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine (CID 71180611) is 2-pyrazin-2-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine.
What is the SMILES notation for 2-pyrazin-2-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The canonical SMILES for 2-pyrazin-2-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine is FC(F)(F)Oc1cccc(Nc2nc(-c3cnccn3)nc3ccccc23)c1.
What is the InChIKey of 2-pyrazin-2-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The InChIKey is VZIHCZIDMKZXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O/c20-19(21,22)28-13-5-3-4-12(10-13)25-17-14-6-1-2-7-15(14)26-18(27-17)16-11-23-8-9-24-16/h1-11H,(H,25,26,27).
What are the key properties of 2-pyrazin-2-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine?
2-pyrazin-2-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine has a molecular weight of 383.33 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine is sourced from PubChem (CID 71180611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).