4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine

C13H10ClF3N2 — CID 80935852

IUPAC4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
SMILESCCc1nc(Cl)cc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H10ClF3N2/c1-2-12-18-10(7-11(14)19-12)8-5-3-4-6-9(8)13(15,16)17/h3-7H,2H2,1H3
InChIKeyARGHVEFSMMFTGV-UHFFFAOYSA-N
MW286.68 g/mol
LogP4.38
Rot. Bonds2

About 4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine

4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 80935852) has the molecular formula C13H10ClF3N2 and a molecular weight of 286.68 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
PubChem CID80935852
Molecular FormulaC13H10ClF3N2
Molecular Weight286.68 g/mol
Exact Mass286.05
IUPAC Name4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
SMILESCCc1nc(Cl)cc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H10ClF3N2/c1-2-12-18-10(7-11(14)19-12)8-5-3-4-6-9(8)13(15,16)17/h3-7H,2H2,1H3
InChIKeyARGHVEFSMMFTGV-UHFFFAOYSA-N
XLogP4.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine (CID 80935852) is 4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine is CCc1nc(Cl)cc(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is ARGHVEFSMMFTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2/c1-2-12-18-10(7-11(14)19-12)8-5-3-4-6-9(8)13(15,16)17/h3-7H,2H2,1H3.
What are the key properties of 4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine?
4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 286.68 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 80935852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).