2-cyclopropyl-4-(trifluoromethoxymethyl)pyrimidine

C9H9F3N2O — CID 123948950

IUPAC2-cyclopropyl-4-(trifluoromethoxymethyl)pyrimidine
SMILESFC(F)(F)OCc1ccnc(C2CC2)n1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)15-5-7-3-4-13-8(14-7)6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyIZCJRLOJXFQZFE-UHFFFAOYSA-N
MW218.18 g/mol
LogP2.39
Rot. Bonds3

About 2-cyclopropyl-4-(trifluoromethoxymethyl)pyrimidine

2-cyclopropyl-4-(trifluoromethoxymethyl)pyrimidine (PubChem CID 123948950) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 2-cyclopropyl-4-(trifluoromethoxymethyl)pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-(trifluoromethoxymethyl)pyrimidine
PubChem CID123948950
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name2-cyclopropyl-4-(trifluoromethoxymethyl)pyrimidine
SMILESFC(F)(F)OCc1ccnc(C2CC2)n1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)15-5-7-3-4-13-8(14-7)6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyIZCJRLOJXFQZFE-UHFFFAOYSA-N
XLogP2.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-4-(trifluoromethoxymethyl)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 2-cyclopropyl-4-(trifluoromethoxymethyl)pyrimidine?
The IUPAC name of 2-cyclopropyl-4-(trifluoromethoxymethyl)pyrimidine (CID 123948950) is 2-cyclopropyl-4-(trifluoromethoxymethyl)pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-(trifluoromethoxymethyl)pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-(trifluoromethoxymethyl)pyrimidine is FC(F)(F)OCc1ccnc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(trifluoromethoxymethyl)pyrimidine?
The InChIKey is IZCJRLOJXFQZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)15-5-7-3-4-13-8(14-7)6-1-2-6/h3-4,6H,1-2,5H2.
What are the key properties of 2-cyclopropyl-4-(trifluoromethoxymethyl)pyrimidine?
2-cyclopropyl-4-(trifluoromethoxymethyl)pyrimidine has a molecular weight of 218.18 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(trifluoromethoxymethyl)pyrimidine is sourced from PubChem (CID 123948950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).