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2-[4-anilino-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol

C23H20N4O2 — CID 135611721

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-anilino-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol
SMILESCc1ccc(-c2nc(Nc3ccccc3)nc(-c3ccc(C)cc3O)n2)c(O)c1
InChIInChI=1S/C23H20N4O2/c1-14-8-10-17(19(28)12-14)21-25-22(18-11-9-15(2)13-20(18)29)27-23(26-21)24-16-6-4-3-5-7-16/h3-13,28-29H,1-2H3,(H,24,25,26,27)
InChIKeyGCKKWVSELAPAEQ-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.98
Rot. Bonds4

About 2-[4-anilino-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol

2-[4-anilino-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol (PubChem CID 135611721) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[4-anilino-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol.

Molecular Properties

Compound Name2-[4-anilino-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol
PubChem CID135611721
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name2-[4-anilino-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol
SMILESCc1ccc(-c2nc(Nc3ccccc3)nc(-c3ccc(C)cc3O)n2)c(O)c1
InChIInChI=1S/C23H20N4O2/c1-14-8-10-17(19(28)12-14)21-25-22(18-11-9-15(2)13-20(18)29)27-23(26-21)24-16-6-4-3-5-7-16/h3-13,28-29H,1-2H3,(H,24,25,26,27)
InChIKeyGCKKWVSELAPAEQ-UHFFFAOYSA-N
XLogP4.98
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-anilino-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol?
The IUPAC name of 2-[4-anilino-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol (CID 135611721) is 2-[4-anilino-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol.
What is the SMILES notation for 2-[4-anilino-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol?
The canonical SMILES for 2-[4-anilino-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol is Cc1ccc(-c2nc(Nc3ccccc3)nc(-c3ccc(C)cc3O)n2)c(O)c1.
What is the InChIKey of 2-[4-anilino-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol?
The InChIKey is GCKKWVSELAPAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-14-8-10-17(19(28)12-14)21-25-22(18-11-9-15(2)13-20(18)29)27-23(26-21)24-16-6-4-3-5-7-16/h3-13,28-29H,1-2H3,(H,24,25,26,27).
What are the key properties of 2-[4-anilino-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol?
2-[4-anilino-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol has a molecular weight of 384.44 g/mol, XLogP of 4.98, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-anilino-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol is sourced from PubChem (CID 135611721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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