2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol

C9H11F3N2O — CID 22648768

IUPAC2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol
SMILESCC(C)C(O)c1cncnc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-5(2)7(15)6-3-13-4-14-8(6)9(10,11)12/h3-5,7,15H,1-2H3
InChIKeyZPXYUYLOQPJLIB-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.18
Rot. Bonds2

About 2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol

2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol (PubChem CID 22648768) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol
PubChem CID22648768
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol
SMILESCC(C)C(O)c1cncnc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-5(2)7(15)6-3-13-4-14-8(6)9(10,11)12/h3-5,7,15H,1-2H3
InChIKeyZPXYUYLOQPJLIB-UHFFFAOYSA-N
XLogP2.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol 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-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol (CID 22648768) is 2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol is CC(C)C(O)c1cncnc1C(F)(F)F.
What is the InChIKey of 2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol?
The InChIKey is ZPXYUYLOQPJLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5(2)7(15)6-3-13-4-14-8(6)9(10,11)12/h3-5,7,15H,1-2H3.
What are the key properties of 2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol?
2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol has a molecular weight of 220.19 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol is sourced from PubChem (CID 22648768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).