4,6-diphenoxy-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine

C21H17N5O2 — CID 3116179

IUPAC4,6-diphenoxy-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
SMILESc1ccc(Oc2nc(NCc3cccnc3)nc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C21H17N5O2/c1-3-9-17(10-4-1)27-20-24-19(23-15-16-8-7-13-22-14-16)25-21(26-20)28-18-11-5-2-6-12-18/h1-14H,15H2,(H,23,24,25,26)
InChIKeyWENATBIEYNIYAU-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.46
Rot. Bonds7

About 4,6-diphenoxy-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine

4,6-diphenoxy-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 3116179) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 4,6-diphenoxy-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-diphenoxy-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID3116179
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name4,6-diphenoxy-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
SMILESc1ccc(Oc2nc(NCc3cccnc3)nc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C21H17N5O2/c1-3-9-17(10-4-1)27-20-24-19(23-15-16-8-7-13-22-14-16)25-21(26-20)28-18-11-5-2-6-12-18/h1-14H,15H2,(H,23,24,25,26)
InChIKeyWENATBIEYNIYAU-UHFFFAOYSA-N
XLogP4.46
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenoxy-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-diphenoxy-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine (CID 3116179) is 4,6-diphenoxy-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-diphenoxy-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-diphenoxy-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine is c1ccc(Oc2nc(NCc3cccnc3)nc(Oc3ccccc3)n2)cc1.
What is the InChIKey of 4,6-diphenoxy-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is WENATBIEYNIYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-3-9-17(10-4-1)27-20-24-19(23-15-16-8-7-13-22-14-16)25-21(26-20)28-18-11-5-2-6-12-18/h1-14H,15H2,(H,23,24,25,26).
What are the key properties of 4,6-diphenoxy-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine?
4,6-diphenoxy-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 371.40 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenoxy-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 3116179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).