(2R)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol

C9H11F3N2O — CID 168907549

IUPAC(2R)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol
SMILESC[C@@H](CO)Cc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C9H11F3N2O/c1-6(5-15)2-7-3-13-8(14-4-7)9(10,11)12/h3-4,6,15H,2,5H2,1H3/t6-/m1/s1
InChIKeyYCIRFBXPDFPJLH-ZCFIWIBFSA-N
MW220.19 g/mol
LogP1.67
Rot. Bonds3

About (2R)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol

(2R)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol (PubChem CID 168907549) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is (2R)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol
PubChem CID168907549
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name(2R)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol
SMILESC[C@@H](CO)Cc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C9H11F3N2O/c1-6(5-15)2-7-3-13-8(14-4-7)9(10,11)12/h3-4,6,15H,2,5H2,1H3/t6-/m1/s1
InChIKeyYCIRFBXPDFPJLH-ZCFIWIBFSA-N
XLogP1.67
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-methyl-3-[2-(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 (2R)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol?
The IUPAC name of (2R)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol (CID 168907549) is (2R)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol?
The canonical SMILES for (2R)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol is C[C@@H](CO)Cc1cnc(C(F)(F)F)nc1.
What is the InChIKey of (2R)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol?
The InChIKey is YCIRFBXPDFPJLH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-6(5-15)2-7-3-13-8(14-4-7)9(10,11)12/h3-4,6,15H,2,5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol?
(2R)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol has a molecular weight of 220.19 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol is sourced from PubChem (CID 168907549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).