N-phenyl-4-[2-(pyridin-4-ylmethoxy)phenyl]-1,3,5-triazin-2-amine

C21H17N5O — CID 141438953

IUPACN-phenyl-4-[2-(pyridin-4-ylmethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2ncnc(-c3ccccc3OCc3ccncc3)n2)cc1
InChIInChI=1S/C21H17N5O/c1-2-6-17(7-3-1)25-21-24-15-23-20(26-21)18-8-4-5-9-19(18)27-14-16-10-12-22-13-11-16/h1-13,15H,14H2,(H,23,24,25,26)
InChIKeyYAKFLAGPAUTQCF-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.26
Rot. Bonds6

About N-phenyl-4-[2-(pyridin-4-ylmethoxy)phenyl]-1,3,5-triazin-2-amine

N-phenyl-4-[2-(pyridin-4-ylmethoxy)phenyl]-1,3,5-triazin-2-amine (PubChem CID 141438953) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-phenyl-4-[2-(pyridin-4-ylmethoxy)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-phenyl-4-[2-(pyridin-4-ylmethoxy)phenyl]-1,3,5-triazin-2-amine
PubChem CID141438953
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC NameN-phenyl-4-[2-(pyridin-4-ylmethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2ncnc(-c3ccccc3OCc3ccncc3)n2)cc1
InChIInChI=1S/C21H17N5O/c1-2-6-17(7-3-1)25-21-24-15-23-20(26-21)18-8-4-5-9-19(18)27-14-16-10-12-22-13-11-16/h1-13,15H,14H2,(H,23,24,25,26)
InChIKeyYAKFLAGPAUTQCF-UHFFFAOYSA-N
XLogP4.26
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[2-(pyridin-4-ylmethoxy)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of N-phenyl-4-[2-(pyridin-4-ylmethoxy)phenyl]-1,3,5-triazin-2-amine (CID 141438953) is N-phenyl-4-[2-(pyridin-4-ylmethoxy)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-phenyl-4-[2-(pyridin-4-ylmethoxy)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-phenyl-4-[2-(pyridin-4-ylmethoxy)phenyl]-1,3,5-triazin-2-amine is c1ccc(Nc2ncnc(-c3ccccc3OCc3ccncc3)n2)cc1.
What is the InChIKey of N-phenyl-4-[2-(pyridin-4-ylmethoxy)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is YAKFLAGPAUTQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-2-6-17(7-3-1)25-21-24-15-23-20(26-21)18-8-4-5-9-19(18)27-14-16-10-12-22-13-11-16/h1-13,15H,14H2,(H,23,24,25,26).
What are the key properties of N-phenyl-4-[2-(pyridin-4-ylmethoxy)phenyl]-1,3,5-triazin-2-amine?
N-phenyl-4-[2-(pyridin-4-ylmethoxy)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 355.40 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[2-(pyridin-4-ylmethoxy)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 141438953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).