2-[4-[4-methyl-6-[4-(4-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

C23H28N6O2 — CID 59600337

IUPAC2-[4-[4-methyl-6-[4-(4-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESCc1ccc(Oc2ccc(Nc3nc(C)nc(N4CCN(CCO)CC4)n3)cc2)cc1
InChIInChI=1S/C23H28N6O2/c1-17-3-7-20(8-4-17)31-21-9-5-19(6-10-21)26-22-24-18(2)25-23(27-22)29-13-11-28(12-14-29)15-16-30/h3-10,30H,11-16H2,1-2H3,(H,24,25,26,27)
InChIKeySTLFTYGQWHLKAK-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.14
Rot. Bonds7

About 2-[4-[4-methyl-6-[4-(4-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

2-[4-[4-methyl-6-[4-(4-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 59600337) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-[4-[4-methyl-6-[4-(4-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-methyl-6-[4-(4-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
PubChem CID59600337
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name2-[4-[4-methyl-6-[4-(4-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESCc1ccc(Oc2ccc(Nc3nc(C)nc(N4CCN(CCO)CC4)n3)cc2)cc1
InChIInChI=1S/C23H28N6O2/c1-17-3-7-20(8-4-17)31-21-9-5-19(6-10-21)26-22-24-18(2)25-23(27-22)29-13-11-28(12-14-29)15-16-30/h3-10,30H,11-16H2,1-2H3,(H,24,25,26,27)
InChIKeySTLFTYGQWHLKAK-UHFFFAOYSA-N
XLogP3.14
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-6-[4-(4-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-methyl-6-[4-(4-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (CID 59600337) is 2-[4-[4-methyl-6-[4-(4-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-methyl-6-[4-(4-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-methyl-6-[4-(4-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is Cc1ccc(Oc2ccc(Nc3nc(C)nc(N4CCN(CCO)CC4)n3)cc2)cc1.
What is the InChIKey of 2-[4-[4-methyl-6-[4-(4-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is STLFTYGQWHLKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-17-3-7-20(8-4-17)31-21-9-5-19(6-10-21)26-22-24-18(2)25-23(27-22)29-13-11-28(12-14-29)15-16-30/h3-10,30H,11-16H2,1-2H3,(H,24,25,26,27).
What are the key properties of 2-[4-[4-methyl-6-[4-(4-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
2-[4-[4-methyl-6-[4-(4-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 420.52 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methyl-6-[4-(4-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 59600337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).