5-[4-ethyl-6-(trifluoromethyl)-2-pyridinyl]-2-(trifluoromethyl)pyrimidine

C13H9F6N3 — CID 122533035

IUPAC5-[4-ethyl-6-(trifluoromethyl)-2-pyridinyl]-2-(trifluoromethyl)pyrimidine
SMILESCCc1cc(-c2cnc(C(F)(F)F)nc2)nc(C(F)(F)F)c1
InChIInChI=1S/C13H9F6N3/c1-2-7-3-9(22-10(4-7)12(14,15)16)8-5-20-11(21-6-8)13(17,18)19/h3-6H,2H2,1H3
InChIKeyYPYPHLOIFSIMBZ-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.14
Rot. Bonds2

About 5-[4-ethyl-6-(trifluoromethyl)-2-pyridinyl]-2-(trifluoromethyl)pyrimidine

5-[4-ethyl-6-(trifluoromethyl)-2-pyridinyl]-2-(trifluoromethyl)pyrimidine (PubChem CID 122533035) has the molecular formula C13H9F6N3 and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-[4-ethyl-6-(trifluoromethyl)-2-pyridinyl]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-[4-ethyl-6-(trifluoromethyl)-2-pyridinyl]-2-(trifluoromethyl)pyrimidine
PubChem CID122533035
Molecular FormulaC13H9F6N3
Molecular Weight321.22 g/mol
Exact Mass321.07
IUPAC Name5-[4-ethyl-6-(trifluoromethyl)-2-pyridinyl]-2-(trifluoromethyl)pyrimidine
SMILESCCc1cc(-c2cnc(C(F)(F)F)nc2)nc(C(F)(F)F)c1
InChIInChI=1S/C13H9F6N3/c1-2-7-3-9(22-10(4-7)12(14,15)16)8-5-20-11(21-6-8)13(17,18)19/h3-6H,2H2,1H3
InChIKeyYPYPHLOIFSIMBZ-UHFFFAOYSA-N
XLogP4.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-ethyl-6-(trifluoromethyl)pyridine
CID 162614408
5-(5-ethyl-6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine
CID 122533054
[2-(trifluoromethyl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methanamine;hydrochloride
CID 122514953
N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821862
4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903666
N-methyl-2-(2,2,2-trifluoroethoxy)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-amine
CID 175309777
N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769352
[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol
CID 118008127
N-methyl-5-(2,2,2-trifluoroethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-amine;hydrochloride
CID 154637108
4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
CID 19621605
4-chloro-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-3-carbaldehyde;ethane
CID 145136375
2-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine
CID 174796862

Frequently Asked Questions

What is the IUPAC name of 5-[4-ethyl-6-(trifluoromethyl)-2-pyridinyl]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-[4-ethyl-6-(trifluoromethyl)-2-pyridinyl]-2-(trifluoromethyl)pyrimidine (CID 122533035) is 5-[4-ethyl-6-(trifluoromethyl)-2-pyridinyl]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-[4-ethyl-6-(trifluoromethyl)-2-pyridinyl]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-[4-ethyl-6-(trifluoromethyl)-2-pyridinyl]-2-(trifluoromethyl)pyrimidine is CCc1cc(-c2cnc(C(F)(F)F)nc2)nc(C(F)(F)F)c1.
What is the InChIKey of 5-[4-ethyl-6-(trifluoromethyl)-2-pyridinyl]-2-(trifluoromethyl)pyrimidine?
The InChIKey is YPYPHLOIFSIMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F6N3/c1-2-7-3-9(22-10(4-7)12(14,15)16)8-5-20-11(21-6-8)13(17,18)19/h3-6H,2H2,1H3.
What are the key properties of 5-[4-ethyl-6-(trifluoromethyl)-2-pyridinyl]-2-(trifluoromethyl)pyrimidine?
5-[4-ethyl-6-(trifluoromethyl)-2-pyridinyl]-2-(trifluoromethyl)pyrimidine has a molecular weight of 321.22 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-ethyl-6-(trifluoromethyl)-2-pyridinyl]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 122533035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).