4-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine

C12H9F3N2O2 — CID 151810244

IUPAC4-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine
SMILESCOc1ccccc1Oc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C12H9F3N2O2/c1-18-8-4-2-3-5-9(8)19-10-6-7-16-11(17-10)12(13,14)15/h2-7H,1H3
InChIKeySALRKZVDRDVNJH-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.30
Rot. Bonds3

About 4-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine

4-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine (PubChem CID 151810244) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine
PubChem CID151810244
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name4-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine
SMILESCOc1ccccc1Oc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C12H9F3N2O2/c1-18-8-4-2-3-5-9(8)19-10-6-7-16-11(17-10)12(13,14)15/h2-7H,1H3
InChIKeySALRKZVDRDVNJH-UHFFFAOYSA-N
XLogP3.30
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-methoxyphenoxy)-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-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine (CID 151810244) is 4-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine is COc1ccccc1Oc1ccnc(C(F)(F)F)n1.
What is the InChIKey of 4-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine?
The InChIKey is SALRKZVDRDVNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-18-8-4-2-3-5-9(8)19-10-6-7-16-11(17-10)12(13,14)15/h2-7H,1H3.
What are the key properties of 4-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine?
4-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine has a molecular weight of 270.21 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 151810244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).