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

C12H8Cl2F3N3O — CID 114566404

IUPAC4-(3,4-dichlorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(Oc2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H8Cl2F3N3O/c1-18-11-19-9(12(15,16)17)5-10(20-11)21-6-2-3-7(13)8(14)4-6/h2-5H,1H3,(H,18,19,20)
InChIKeyFLZPJOYNEJMBGO-UHFFFAOYSA-N
MW338.12 g/mol
LogP4.64
Rot. Bonds3

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

4-(3,4-dichlorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566404) has the molecular formula C12H8Cl2F3N3O and a molecular weight of 338.12 g/mol. Its IUPAC name is 4-(3,4-dichlorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566404
Molecular FormulaC12H8Cl2F3N3O
Molecular Weight338.12 g/mol
Exact Mass337.00
IUPAC Name4-(3,4-dichlorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(Oc2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H8Cl2F3N3O/c1-18-11-19-9(12(15,16)17)5-10(20-11)21-6-2-3-7(13)8(14)4-6/h2-5H,1H3,(H,18,19,20)
InChIKeyFLZPJOYNEJMBGO-UHFFFAOYSA-N
XLogP4.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 54.64
H-Bond Donors ≤ 51
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-Chloro-6-(4-chlorophenoxy)pyrimidin-2-amine
CID 389506
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-(2-Fluorophenoxy)-6-methylpyrimidin-2-amine
CID 5205833
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-(3,4-dichlorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3,4-dichlorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566404) is 4-(3,4-dichlorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dichlorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dichlorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is CNc1nc(Oc2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(3,4-dichlorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is FLZPJOYNEJMBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F3N3O/c1-18-11-19-9(12(15,16)17)5-10(20-11)21-6-2-3-7(13)8(14)4-6/h2-5H,1H3,(H,18,19,20).
What are the key properties of 4-(3,4-dichlorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(3,4-dichlorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 338.12 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).