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

C9H11ClF3N3O — CID 106766758

IUPAC2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C9H11ClF3N3O/c1-16(2)3-4-17-7-5-6(10)14-8(15-7)9(11,12)13/h5H,3-4H2,1-2H3
InChIKeyRMJDKIXBQSSUGH-UHFFFAOYSA-N
MW269.65 g/mol
LogP2.09
Rot. Bonds4

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

2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylethanamine (PubChem CID 106766758) has the molecular formula C9H11ClF3N3O and a molecular weight of 269.65 g/mol. Its IUPAC name is 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylethanamine
PubChem CID106766758
Molecular FormulaC9H11ClF3N3O
Molecular Weight269.65 g/mol
Exact Mass269.05
IUPAC Name2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C9H11ClF3N3O/c1-16(2)3-4-17-7-5-6(10)14-8(15-7)9(11,12)13/h5H,3-4H2,1-2H3
InChIKeyRMJDKIXBQSSUGH-UHFFFAOYSA-N
XLogP2.09
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774322
4-chloro-6-ethoxy-2-(trifluoromethyl)pyrimidine
CID 106766587
2-chloro-6-[2-(dimethylamino)ethoxy]pyridin-4-amine
CID 71302501
4-chloro-6-prop-2-enoxy-2-(trifluoromethyl)pyrimidine
CID 106766638
2-(2,6-difluoropyrimidin-4-yl)oxy-N,N-dimethylethanamine
CID 118936856
6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774344
4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine
CID 170577812
4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766697
3-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylaniline
CID 106766765
3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106917431
4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine
CID 106766872
5-(2-tert-butyl-6-chloropyrimidin-4-yl)oxypentan-1-ol
CID 114216648

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylethanamine (CID 106766758) is 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylethanamine is CN(C)CCOc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylethanamine?
The InChIKey is RMJDKIXBQSSUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3O/c1-16(2)3-4-17-7-5-6(10)14-8(15-7)9(11,12)13/h5H,3-4H2,1-2H3.
What are the key properties of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylethanamine?
2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylethanamine has a molecular weight of 269.65 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 106766758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).