5-[1-[2-(trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine

C17H15F3N4O — CID 11494005

IUPAC5-[1-[2-(trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine
SMILESCC(Oc1cccc2nc(N)nc(N)c12)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N4O/c1-9(10-5-2-3-6-11(10)17(18,19)20)25-13-8-4-7-12-14(13)15(21)24-16(22)23-12/h2-9H,1H3,(H4,21,22,23,24)
InChIKeyNCCAPKUIDRABLN-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.95
Rot. Bonds3

About 5-[1-[2-(trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine

5-[1-[2-(trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine (PubChem CID 11494005) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 5-[1-[2-(trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[1-[2-(trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine
PubChem CID11494005
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name5-[1-[2-(trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine
SMILESCC(Oc1cccc2nc(N)nc(N)c12)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N4O/c1-9(10-5-2-3-6-11(10)17(18,19)20)25-13-8-4-7-12-14(13)15(21)24-16(22)23-12/h2-9H,1H3,(H4,21,22,23,24)
InChIKeyNCCAPKUIDRABLN-UHFFFAOYSA-N
XLogP3.95
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[1-[2-(trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine (CID 11494005) is 5-[1-[2-(trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[1-[2-(trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[1-[2-(trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine is CC(Oc1cccc2nc(N)nc(N)c12)c1ccccc1C(F)(F)F.
What is the InChIKey of 5-[1-[2-(trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine?
The InChIKey is NCCAPKUIDRABLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-9(10-5-2-3-6-11(10)17(18,19)20)25-13-8-4-7-12-14(13)15(21)24-16(22)23-12/h2-9H,1H3,(H4,21,22,23,24).
What are the key properties of 5-[1-[2-(trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine?
5-[1-[2-(trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine has a molecular weight of 348.33 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 11494005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).