2-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine

C12H8ClF3N2O — CID 62476947

IUPAC2-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine
SMILESCc1cc(Oc2ccc(C(F)(F)F)cc2)nc(Cl)n1
InChIInChI=1S/C12H8ClF3N2O/c1-7-6-10(18-11(13)17-7)19-9-4-2-8(3-5-9)12(14,15)16/h2-6H,1H3
InChIKeyZOAMTVOASMRUEX-UHFFFAOYSA-N
MW288.66 g/mol
LogP4.25
Rot. Bonds2

About 2-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine

2-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 62476947) has the molecular formula C12H8ClF3N2O and a molecular weight of 288.66 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID62476947
Molecular FormulaC12H8ClF3N2O
Molecular Weight288.66 g/mol
Exact Mass288.03
IUPAC Name2-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine
SMILESCc1cc(Oc2ccc(C(F)(F)F)cc2)nc(Cl)n1
InChIInChI=1S/C12H8ClF3N2O/c1-7-6-10(18-11(13)17-7)19-9-4-2-8(3-5-9)12(14,15)16/h2-6H,1H3
InChIKeyZOAMTVOASMRUEX-UHFFFAOYSA-N
XLogP4.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]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-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 2-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine (CID 62476947) is 2-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 2-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 2-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine is Cc1cc(Oc2ccc(C(F)(F)F)cc2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is ZOAMTVOASMRUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O/c1-7-6-10(18-11(13)17-7)19-9-4-2-8(3-5-9)12(14,15)16/h2-6H,1H3.
What are the key properties of 2-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine?
2-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 288.66 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 62476947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).