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

C13H10Cl2F3N3O — CID 1483213

IUPAC4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Oc2c(Cl)cccc2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C13H10Cl2F3N3O/c1-2-19-12-20-9(13(16,17)18)6-10(21-12)22-11-7(14)4-3-5-8(11)15/h3-6H,2H2,1H3,(H,19,20,21)
InChIKeyGUHCWPAQANNICY-UHFFFAOYSA-N
MW352.14 g/mol
LogP5.03
Rot. Bonds4

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

4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 1483213) has the molecular formula C13H10Cl2F3N3O and a molecular weight of 352.14 g/mol. Its IUPAC name is 4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID1483213
Molecular FormulaC13H10Cl2F3N3O
Molecular Weight352.14 g/mol
Exact Mass351.02
IUPAC Name4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Oc2c(Cl)cccc2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C13H10Cl2F3N3O/c1-2-19-12-20-9(13(16,17)18)6-10(21-12)22-11-7(14)4-3-5-8(11)15/h3-6H,2H2,1H3,(H,19,20,21)
InChIKeyGUHCWPAQANNICY-UHFFFAOYSA-N
XLogP5.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.14
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-Dichlorophenoxy)pyrimidine-2,4-diamine
CID 820043
2-(2,4-dichlorophenoxy)-N-(2-((4-methoxy-6-methylpyrimidin-2-yl)oxy)ethyl)acetamide
CID 654040
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
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 15956124
(4,6-Dimethylpyrimidin-2-yl)(3-chloro-4-methoxyphenyl)amine, chloride
CID 2967754
4-(4-Chlorophenoxy)-6-methyl-2-pyrimidinamine
CID 14724240
N-ethyl-4-(4-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 1483205
N-ethyl-4-(4-fluorophenoxy)-6-(trifluoromethyl)-2-pyrimidinamine
CID 1483248
N-[4-(2,4-dichlorophenoxy)-6-(trifluoromethyl)-2-pyrimidinyl]-N-isopropylamine
CID 1483262
4-N-(3,5-dichloro-4-phenoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 137635823

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 1483213) is 4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(Oc2c(Cl)cccc2Cl)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GUHCWPAQANNICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3O/c1-2-19-12-20-9(13(16,17)18)6-10(21-12)22-11-7(14)4-3-5-8(11)15/h3-6H,2H2,1H3,(H,19,20,21).
What are the key properties of 4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 352.14 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 1483213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).