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

C16H13F3N4O — CID 24778030

IUPAC5-[[2-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCc3ccccc3C(F)(F)F)cccc2n1
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)10-5-2-1-4-9(10)8-24-12-7-3-6-11-13(12)14(20)23-15(21)22-11/h1-7H,8H2,(H4,20,21,22,23)
InChIKeyITGOLQGQGQESIC-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.39
Rot. Bonds3

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

5-[[2-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine (PubChem CID 24778030) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is 5-[[2-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[[2-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine
PubChem CID24778030
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name5-[[2-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCc3ccccc3C(F)(F)F)cccc2n1
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)10-5-2-1-4-9(10)8-24-12-7-3-6-11-13(12)14(20)23-15(21)22-11/h1-7H,8H2,(H4,20,21,22,23)
InChIKeyITGOLQGQGQESIC-UHFFFAOYSA-N
XLogP3.39
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[[2-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine (CID 24778030) is 5-[[2-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[[2-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[[2-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine is Nc1nc(N)c2c(OCc3ccccc3C(F)(F)F)cccc2n1.
What is the InChIKey of 5-[[2-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine?
The InChIKey is ITGOLQGQGQESIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c17-16(18,19)10-5-2-1-4-9(10)8-24-12-7-3-6-11-13(12)14(20)23-15(21)22-11/h1-7H,8H2,(H4,20,21,22,23).
What are the key properties of 5-[[2-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine?
5-[[2-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine has a molecular weight of 334.30 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 24778030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).