4-methoxy-6-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine

C23H20N4O3 — CID 117089896

IUPAC4-methoxy-6-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nc(Nc3ccc(Oc4ccccc4)cc3)nc(OC)n2)cc1
InChIInChI=1S/C23H20N4O3/c1-28-18-12-8-16(9-13-18)21-25-22(27-23(26-21)29-2)24-17-10-14-20(15-11-17)30-19-6-4-3-5-7-19/h3-15H,1-2H3,(H,24,25,26,27)
InChIKeyLKQRXHOJTVYDRP-UHFFFAOYSA-N
MW400.44 g/mol
LogP5.09
Rot. Bonds7

About 4-methoxy-6-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine

4-methoxy-6-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 117089896) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-methoxy-6-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID117089896
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name4-methoxy-6-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nc(Nc3ccc(Oc4ccccc4)cc3)nc(OC)n2)cc1
InChIInChI=1S/C23H20N4O3/c1-28-18-12-8-16(9-13-18)21-25-22(27-23(26-21)29-2)24-17-10-14-20(15-11-17)30-19-6-4-3-5-7-19/h3-15H,1-2H3,(H,24,25,26,27)
InChIKeyLKQRXHOJTVYDRP-UHFFFAOYSA-N
XLogP5.09
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine (CID 117089896) is 4-methoxy-6-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine is COc1ccc(-c2nc(Nc3ccc(Oc4ccccc4)cc3)nc(OC)n2)cc1.
What is the InChIKey of 4-methoxy-6-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is LKQRXHOJTVYDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-28-18-12-8-16(9-13-18)21-25-22(27-23(26-21)29-2)24-17-10-14-20(15-11-17)30-19-6-4-3-5-7-19/h3-15H,1-2H3,(H,24,25,26,27).
What are the key properties of 4-methoxy-6-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine?
4-methoxy-6-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 400.44 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 117089896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).