3-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylaniline

C13H11ClF3N3O — CID 106766765

IUPAC3-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylaniline
SMILESCN(C)c1cccc(Oc2cc(Cl)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C13H11ClF3N3O/c1-20(2)8-4-3-5-9(6-8)21-11-7-10(14)18-12(19-11)13(15,16)17/h3-7H,1-2H3
InChIKeyURLUKHAPVHPJKZ-UHFFFAOYSA-N
MW317.70 g/mol
LogP4.01
Rot. Bonds3

About 3-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylaniline

3-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylaniline (PubChem CID 106766765) has the molecular formula C13H11ClF3N3O and a molecular weight of 317.70 g/mol. Its IUPAC name is 3-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylaniline
PubChem CID106766765
Molecular FormulaC13H11ClF3N3O
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC Name3-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylaniline
SMILESCN(C)c1cccc(Oc2cc(Cl)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C13H11ClF3N3O/c1-20(2)8-4-3-5-9(6-8)21-11-7-10(14)18-12(19-11)13(15,16)17/h3-7H,1-2H3
InChIKeyURLUKHAPVHPJKZ-UHFFFAOYSA-N
XLogP4.01
TPSA38.25 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 ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766711
4-chloro-6-(3-propan-2-ylphenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766686
3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80944453
4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766697
4-chloro-6-(2-iodophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766742
2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylethanamine
CID 106766758
4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine
CID 106766872
4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine
CID 106766587
3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline
CID 61229474
2-chloro-6-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 102715210
4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766656
6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80962777

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylaniline?
The IUPAC name of 3-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylaniline (CID 106766765) is 3-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylaniline.
What is the SMILES notation for 3-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylaniline?
The canonical SMILES for 3-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylaniline is CN(C)c1cccc(Oc2cc(Cl)nc(C(F)(F)F)n2)c1.
What is the InChIKey of 3-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylaniline?
The InChIKey is URLUKHAPVHPJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O/c1-20(2)8-4-3-5-9(6-8)21-11-7-10(14)18-12(19-11)13(15,16)17/h3-7H,1-2H3.
What are the key properties of 3-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylaniline?
3-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylaniline has a molecular weight of 317.70 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylaniline is sourced from PubChem (CID 106766765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).