4-(2,3-dichlorophenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine

C13H10Cl2F3N3O — CID 3756228

IUPAC4-(2,3-dichlorophenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCN(C)c1nc(Oc2cccc(Cl)c2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C13H10Cl2F3N3O/c1-21(2)12-19-9(13(16,17)18)6-10(20-12)22-8-5-3-4-7(14)11(8)15/h3-6H,1-2H3
InChIKeyOURQNELPVKTWLZ-UHFFFAOYSA-N
MW352.14 g/mol
LogP4.66
Rot. Bonds3

About 4-(2,3-dichlorophenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(2,3-dichlorophenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 3756228) has the molecular formula C13H10Cl2F3N3O and a molecular weight of 352.14 g/mol. Its IUPAC name is 4-(2,3-dichlorophenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dichlorophenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID3756228
Molecular FormulaC13H10Cl2F3N3O
Molecular Weight352.14 g/mol
Exact Mass351.02
IUPAC Name4-(2,3-dichlorophenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCN(C)c1nc(Oc2cccc(Cl)c2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C13H10Cl2F3N3O/c1-21(2)12-19-9(13(16,17)18)6-10(20-12)22-8-5-3-4-7(14)11(8)15/h3-6H,1-2H3
InChIKeyOURQNELPVKTWLZ-UHFFFAOYSA-N
XLogP4.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 1483213
4-(2,4-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 1483227
4-(4-chlorophenoxy)-N-isopropyl-6-(trifluoromethyl)-2-pyrimidinamine
CID 1483251
N-[4-(2,3-dichlorophenoxy)-6-(trifluoromethyl)-2-pyrimidinyl]-N-isopropylamine
CID 1483263
4-(4-Chlorophenoxy)-6-methyl-2-pyrimidinamine
CID 14724240
N-[4-(2,4-dichlorophenoxy)-6-(trifluoromethyl)-2-pyrimidinyl]-N-isopropylamine
CID 1483262
4-(4-methoxyphenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 3255159
4-(2,4-Dichlorophenoxy)-6-methylpyrimidine-2-carbonitrile
CID 911258
2-[4-(2,4-Dichlorophenoxy)-6-methylpyrimidin-2-yl]oxyacetonitrile
CID 1627975
4,6-Dimethyl-2-(2,4,6-trichlorophenoxy)pyrimidine
CID 776460
4-(2,4-Dichlorophenoxy)-6-methylpyrimidin-2-amine
CID 112724303
4-Methoxy-2-(2,4,5-trichlorophenoxy)-6-(trifluoromethyl)pyrimidine
CID 1477713

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,3-dichlorophenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 3756228) is 4-(2,3-dichlorophenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dichlorophenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dichlorophenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine is CN(C)c1nc(Oc2cccc(Cl)c2Cl)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(2,3-dichlorophenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is OURQNELPVKTWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3O/c1-21(2)12-19-9(13(16,17)18)6-10(20-12)22-8-5-3-4-7(14)11(8)15/h3-6H,1-2H3.
What are the key properties of 4-(2,3-dichlorophenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2,3-dichlorophenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 352.14 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 3756228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).