5-(4-fluorophenoxy)quinazoline-2,4-diamine

C14H11FN4O — CID 2824486

IUPAC5-(4-fluorophenoxy)quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(Oc3ccc(F)cc3)cccc2n1
InChIInChI=1S/C14H11FN4O/c15-8-4-6-9(7-5-8)20-11-3-1-2-10-12(11)13(16)19-14(17)18-10/h1-7H,(H4,16,17,18,19)
InChIKeyJNYHUFOSYWFTLJ-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.73
Rot. Bonds2

About 5-(4-fluorophenoxy)quinazoline-2,4-diamine

5-(4-fluorophenoxy)quinazoline-2,4-diamine (PubChem CID 2824486) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 5-(4-fluorophenoxy)quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-(4-fluorophenoxy)quinazoline-2,4-diamine
PubChem CID2824486
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name5-(4-fluorophenoxy)quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(Oc3ccc(F)cc3)cccc2n1
InChIInChI=1S/C14H11FN4O/c15-8-4-6-9(7-5-8)20-11-3-1-2-10-12(11)13(16)19-14(17)18-10/h1-7H,(H4,16,17,18,19)
InChIKeyJNYHUFOSYWFTLJ-UHFFFAOYSA-N
XLogP2.73
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenoxy)quinazoline-2,4-diamine?
The IUPAC name of 5-(4-fluorophenoxy)quinazoline-2,4-diamine (CID 2824486) is 5-(4-fluorophenoxy)quinazoline-2,4-diamine.
What is the SMILES notation for 5-(4-fluorophenoxy)quinazoline-2,4-diamine?
The canonical SMILES for 5-(4-fluorophenoxy)quinazoline-2,4-diamine is Nc1nc(N)c2c(Oc3ccc(F)cc3)cccc2n1.
What is the InChIKey of 5-(4-fluorophenoxy)quinazoline-2,4-diamine?
The InChIKey is JNYHUFOSYWFTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-8-4-6-9(7-5-8)20-11-3-1-2-10-12(11)13(16)19-14(17)18-10/h1-7H,(H4,16,17,18,19).
What are the key properties of 5-(4-fluorophenoxy)quinazoline-2,4-diamine?
5-(4-fluorophenoxy)quinazoline-2,4-diamine has a molecular weight of 270.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenoxy)quinazoline-2,4-diamine is sourced from PubChem (CID 2824486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).