4,6-diphenoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine

C24H22N4O2 — CID 1095338

IUPAC4,6-diphenoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine
SMILESCC(C)c1ccc(Nc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C24H22N4O2/c1-17(2)18-13-15-19(16-14-18)25-22-26-23(29-20-9-5-3-6-10-20)28-24(27-22)30-21-11-7-4-8-12-21/h3-17H,1-2H3,(H,25,26,27,28)
InChIKeyOZGOUMLMKJLJSH-UHFFFAOYSA-N
MW398.47 g/mol
LogP6.32
Rot. Bonds7

About 4,6-diphenoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine

4,6-diphenoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine (PubChem CID 1095338) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4,6-diphenoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-diphenoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine
PubChem CID1095338
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name4,6-diphenoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine
SMILESCC(C)c1ccc(Nc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C24H22N4O2/c1-17(2)18-13-15-19(16-14-18)25-22-26-23(29-20-9-5-3-6-10-20)28-24(27-22)30-21-11-7-4-8-12-21/h3-17H,1-2H3,(H,25,26,27,28)
InChIKeyOZGOUMLMKJLJSH-UHFFFAOYSA-N
XLogP6.32
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-diphenoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine (CID 1095338) is 4,6-diphenoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-diphenoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-diphenoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine is CC(C)c1ccc(Nc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1.
What is the InChIKey of 4,6-diphenoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is OZGOUMLMKJLJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-17(2)18-13-15-19(16-14-18)25-22-26-23(29-20-9-5-3-6-10-20)28-24(27-22)30-21-11-7-4-8-12-21/h3-17H,1-2H3,(H,25,26,27,28).
What are the key properties of 4,6-diphenoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine?
4,6-diphenoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 398.47 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 1095338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).