4-propan-2-yl-2-(trifluoromethyl)pyrimidine

C8H9F3N2 — CID 58431341

IUPAC4-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2/c1-5(2)6-3-4-12-7(13-6)8(9,10)11/h3-5H,1-2H3
InChIKeyJPSOHSDXXYONPL-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.62
Rot. Bonds1

About 4-propan-2-yl-2-(trifluoromethyl)pyrimidine

4-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 58431341) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 4-propan-2-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-propan-2-yl-2-(trifluoromethyl)pyrimidine
PubChem CID58431341
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name4-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2/c1-5(2)6-3-4-12-7(13-6)8(9,10)11/h3-5H,1-2H3
InChIKeyJPSOHSDXXYONPL-UHFFFAOYSA-N
XLogP2.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-propan-2-yl-2-(trifluoromethyl)pyrimidine 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 4-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-propan-2-yl-2-(trifluoromethyl)pyrimidine (CID 58431341) is 4-propan-2-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-propan-2-yl-2-(trifluoromethyl)pyrimidine is CC(C)c1ccnc(C(F)(F)F)n1.
What is the InChIKey of 4-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is JPSOHSDXXYONPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-5(2)6-3-4-12-7(13-6)8(9,10)11/h3-5H,1-2H3.
What are the key properties of 4-propan-2-yl-2-(trifluoromethyl)pyrimidine?
4-propan-2-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 190.17 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 58431341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).