2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol

C16H19F3N6O — CID 24747175

IUPAC2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(Nc2ccccc2C(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C16H19F3N6O/c17-16(18,19)11-5-1-2-6-12(11)21-14-22-13(20-7-10-26)23-15(24-14)25-8-3-4-9-25/h1-2,5-6,26H,3-4,7-10H2,(H2,20,21,22,23,24)
InChIKeyXJNYPHZFAAXNHO-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.64
Rot. Bonds6

About 2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 24747175) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID24747175
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC Name2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(Nc2ccccc2C(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C16H19F3N6O/c17-16(18,19)11-5-1-2-6-12(11)21-14-22-13(20-7-10-26)23-15(24-14)25-8-3-4-9-25/h1-2,5-6,26H,3-4,7-10H2,(H2,20,21,22,23,24)
InChIKeyXJNYPHZFAAXNHO-UHFFFAOYSA-N
XLogP2.64
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]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-pyrrolidin-1-yl-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol (CID 24747175) is 2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol is OCCNc1nc(Nc2ccccc2C(F)(F)F)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is XJNYPHZFAAXNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c17-16(18,19)11-5-1-2-6-12(11)21-14-22-13(20-7-10-26)23-15(24-14)25-8-3-4-9-25/h1-2,5-6,26H,3-4,7-10H2,(H2,20,21,22,23,24).
What are the key properties of 2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 368.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-pyrrolidin-1-yl-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 24747175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).