2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol

C10H14F3N3O — CID 64585291

IUPAC2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
SMILESCC(C)N(CCO)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-7(2)16(5-6-17)9-14-4-3-8(15-9)10(11,12)13/h3-4,7,17H,5-6H2,1-2H3
InChIKeyZVGZALKOVMLJNA-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.70
Rot. Bonds4

About 2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol

2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol (PubChem CID 64585291) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
PubChem CID64585291
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
SMILESCC(C)N(CCO)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-7(2)16(5-6-17)9-14-4-3-8(15-9)10(11,12)13/h3-4,7,17H,5-6H2,1-2H3
InChIKeyZVGZALKOVMLJNA-UHFFFAOYSA-N
XLogP1.70
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-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-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol (CID 64585291) is 2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol is CC(C)N(CCO)c1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol?
The InChIKey is ZVGZALKOVMLJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7(2)16(5-6-17)9-14-4-3-8(15-9)10(11,12)13/h3-4,7,17H,5-6H2,1-2H3.
What are the key properties of 2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol?
2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol has a molecular weight of 249.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 64585291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).