4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine

C13H11ClF3N3O — CID 106766872

IUPAC4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine
SMILESCCc1nc(C)ccc1Oc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C13H11ClF3N3O/c1-3-8-9(5-4-7(2)18-8)21-11-6-10(14)19-12(20-11)13(15,16)17/h4-6H,3H2,1-2H3
InChIKeyGDLWPYYJPYDORO-UHFFFAOYSA-N
MW317.70 g/mol
LogP4.21
Rot. Bonds3

About 4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine

4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine (PubChem CID 106766872) has the molecular formula C13H11ClF3N3O and a molecular weight of 317.70 g/mol. Its IUPAC name is 4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine
PubChem CID106766872
Molecular FormulaC13H11ClF3N3O
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC Name4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine
SMILESCCc1nc(C)ccc1Oc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C13H11ClF3N3O/c1-3-8-9(5-4-7(2)18-8)21-11-6-10(14)19-12(20-11)13(15,16)17/h4-6H,3H2,1-2H3
InChIKeyGDLWPYYJPYDORO-UHFFFAOYSA-N
XLogP4.21
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ethyl-5-fluoro-6-pyridin-3-yloxypyrimidine
CID 126767017
2-(Methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine
CID 154747152
2-Methyl-4-phenoxy-6-(trifluoromethyl)pyrimidine
CID 54264885
4-Chloro-5-fluoro-6-methoxy-2-(5-methoxypyridin-2-yl)pyrimidine
CID 122505508
4-[6-(Difluoromethyl)pyridin-3-yl]oxy-5-iodopyrimidine
CID 135246365
4-[6-(1,1-Difluoro-2-methoxyethyl)pyridin-3-yl]oxy-5-iodopyrimidine
CID 135246529
5-Bromo-4-[6-(1,1-difluoroethyl)pyridin-3-yl]oxypyrimidine
CID 135246884
4-[6-(1,1-Difluoro-2-methoxyethyl)pyridin-3-yl]oxy-5-methylpyrimidine
CID 137510145
5-Iodo-4-[6-(trifluoromethyl)pyridin-3-yl]oxypyrimidine
CID 137510154
[4-[[6-(1,1-Difluoro-2-methoxyethyl)-3-pyridinyl]oxy]pyrimidin-5-yl]iodanium
CID 163581343
5-Chloro-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
CID 169205125
5-(2,5-Dihydropyridin-4-yl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
CID 175943641

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine (CID 106766872) is 4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine is CCc1nc(C)ccc1Oc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine?
The InChIKey is GDLWPYYJPYDORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O/c1-3-8-9(5-4-7(2)18-8)21-11-6-10(14)19-12(20-11)13(15,16)17/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine?
4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine has a molecular weight of 317.70 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106766872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).