6-[4-(4-fluorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine

C15H12FN5O — CID 127036401

IUPAC6-[4-(4-fluorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C15H12FN5O/c16-10-3-7-12(8-4-10)22-11-5-1-9(2-6-11)13-19-14(17)21-15(18)20-13/h1-8H,(H4,17,18,19,20,21)
InChIKeyPOXDCKHYNZNQIN-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.63
Rot. Bonds3

About 6-[4-(4-fluorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine

6-[4-(4-fluorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 127036401) has the molecular formula C15H12FN5O and a molecular weight of 297.29 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID127036401
Molecular FormulaC15H12FN5O
Molecular Weight297.29 g/mol
Exact Mass297.10
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C15H12FN5O/c16-10-3-7-12(8-4-10)22-11-5-1-9(2-6-11)13-19-14(17)21-15(18)20-13/h1-8H,(H4,17,18,19,20,21)
InChIKeyPOXDCKHYNZNQIN-UHFFFAOYSA-N
XLogP2.63
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine (CID 127036401) is 6-[4-(4-fluorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is POXDCKHYNZNQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O/c16-10-3-7-12(8-4-10)22-11-5-1-9(2-6-11)13-19-14(17)21-15(18)20-13/h1-8H,(H4,17,18,19,20,21).
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
6-[4-(4-fluorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 297.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 127036401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).