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

C13H10ClF3N2O2 — CID 52882426

IUPAC4-chloro-2-methyl-6-[2-(2,2,2-trifluoroethoxy)phenoxy]pyrimidine
SMILESCc1nc(Cl)cc(Oc2ccccc2OCC(F)(F)F)n1
InChIInChI=1S/C13H10ClF3N2O2/c1-8-18-11(14)6-12(19-8)21-10-5-3-2-4-9(10)20-7-13(15,16)17/h2-6H,7H2,1H3
InChIKeyWOUGDWMPKQKEOX-UHFFFAOYSA-N
MW318.68 g/mol
LogP4.17
Rot. Bonds4

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

4-chloro-2-methyl-6-[2-(2,2,2-trifluoroethoxy)phenoxy]pyrimidine (PubChem CID 52882426) has the molecular formula C13H10ClF3N2O2 and a molecular weight of 318.68 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[2-(2,2,2-trifluoroethoxy)phenoxy]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[2-(2,2,2-trifluoroethoxy)phenoxy]pyrimidine
PubChem CID52882426
Molecular FormulaC13H10ClF3N2O2
Molecular Weight318.68 g/mol
Exact Mass318.04
IUPAC Name4-chloro-2-methyl-6-[2-(2,2,2-trifluoroethoxy)phenoxy]pyrimidine
SMILESCc1nc(Cl)cc(Oc2ccccc2OCC(F)(F)F)n1
InChIInChI=1S/C13H10ClF3N2O2/c1-8-18-11(14)6-12(19-8)21-10-5-3-2-4-9(10)20-7-13(15,16)17/h2-6H,7H2,1H3
InChIKeyWOUGDWMPKQKEOX-UHFFFAOYSA-N
XLogP4.17
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.68
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-methyl-6-[2-(2,2,2-trifluoroethoxy)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 4-chloro-2-methyl-6-[2-(2,2,2-trifluoroethoxy)phenoxy]pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-[2-(2,2,2-trifluoroethoxy)phenoxy]pyrimidine (CID 52882426) is 4-chloro-2-methyl-6-[2-(2,2,2-trifluoroethoxy)phenoxy]pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-[2-(2,2,2-trifluoroethoxy)phenoxy]pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-[2-(2,2,2-trifluoroethoxy)phenoxy]pyrimidine is Cc1nc(Cl)cc(Oc2ccccc2OCC(F)(F)F)n1.
What is the InChIKey of 4-chloro-2-methyl-6-[2-(2,2,2-trifluoroethoxy)phenoxy]pyrimidine?
The InChIKey is WOUGDWMPKQKEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O2/c1-8-18-11(14)6-12(19-8)21-10-5-3-2-4-9(10)20-7-13(15,16)17/h2-6H,7H2,1H3.
What are the key properties of 4-chloro-2-methyl-6-[2-(2,2,2-trifluoroethoxy)phenoxy]pyrimidine?
4-chloro-2-methyl-6-[2-(2,2,2-trifluoroethoxy)phenoxy]pyrimidine has a molecular weight of 318.68 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[2-(2,2,2-trifluoroethoxy)phenoxy]pyrimidine is sourced from PubChem (CID 52882426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).