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

C23H25F3N6O2 — CID 59600333

IUPAC2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESCc1nc(Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)nc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C23H25F3N6O2/c1-16-27-21(30-22(28-16)32-11-9-31(10-12-32)13-14-33)29-20-8-7-18(15-19(20)23(24,25)26)34-17-5-3-2-4-6-17/h2-8,15,33H,9-14H2,1H3,(H,27,28,29,30)
InChIKeyOOAACRHAAWPNKH-UHFFFAOYSA-N
MW474.49 g/mol
LogP3.85
Rot. Bonds7

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

2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 59600333) has the molecular formula C23H25F3N6O2 and a molecular weight of 474.49 g/mol. Its IUPAC name is 2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
PubChem CID59600333
Molecular FormulaC23H25F3N6O2
Molecular Weight474.49 g/mol
Exact Mass474.20
IUPAC Name2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESCc1nc(Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)nc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C23H25F3N6O2/c1-16-27-21(30-22(28-16)32-11-9-31(10-12-32)13-14-33)29-20-8-7-18(15-19(20)23(24,25)26)34-17-5-3-2-4-6-17/h2-8,15,33H,9-14H2,1H3,(H,27,28,29,30)
InChIKeyOOAACRHAAWPNKH-UHFFFAOYSA-N
XLogP3.85
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (CID 59600333) is 2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is Cc1nc(Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)nc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is OOAACRHAAWPNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O2/c1-16-27-21(30-22(28-16)32-11-9-31(10-12-32)13-14-33)29-20-8-7-18(15-19(20)23(24,25)26)34-17-5-3-2-4-6-17/h2-8,15,33H,9-14H2,1H3,(H,27,28,29,30).
What are the key properties of 2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 474.49 g/mol, XLogP of 3.85, 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-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 59600333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).