2-amino-2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol

C8H10F3N3O2 — CID 83897493

IUPAC2-amino-2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol
SMILESCOc1cc(C(N)CO)nc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O2/c1-16-6-2-5(4(12)3-15)13-7(14-6)8(9,10)11/h2,4,15H,3,12H2,1H3
InChIKeyWNLGNXHGDGTKAC-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.50
Rot. Bonds3

About 2-amino-2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol

2-amino-2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol (PubChem CID 83897493) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-amino-2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol
PubChem CID83897493
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name2-amino-2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol
SMILESCOc1cc(C(N)CO)nc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O2/c1-16-6-2-5(4(12)3-15)13-7(14-6)8(9,10)11/h2,4,15H,3,12H2,1H3
InChIKeyWNLGNXHGDGTKAC-UHFFFAOYSA-N
XLogP0.50
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-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-amino-2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol?
The IUPAC name of 2-amino-2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol (CID 83897493) is 2-amino-2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol is COc1cc(C(N)CO)nc(C(F)(F)F)n1.
What is the InChIKey of 2-amino-2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol?
The InChIKey is WNLGNXHGDGTKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-16-6-2-5(4(12)3-15)13-7(14-6)8(9,10)11/h2,4,15H,3,12H2,1H3.
What are the key properties of 2-amino-2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol?
2-amino-2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol has a molecular weight of 237.18 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol is sourced from PubChem (CID 83897493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).