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

C12H8F5N3O — CID 114566298

IUPAC4-(2,4-difluorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(Oc2ccc(F)cc2F)cc(C(F)(F)F)n1
InChIInChI=1S/C12H8F5N3O/c1-18-11-19-9(12(15,16)17)5-10(20-11)21-8-3-2-6(13)4-7(8)14/h2-5H,1H3,(H,18,19,20)
InChIKeyDXQQYEBGOKECEI-UHFFFAOYSA-N
MW305.21 g/mol
LogP3.61
Rot. Bonds3

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

4-(2,4-difluorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566298) has the molecular formula C12H8F5N3O and a molecular weight of 305.21 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566298
Molecular FormulaC12H8F5N3O
Molecular Weight305.21 g/mol
Exact Mass305.06
IUPAC Name4-(2,4-difluorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(Oc2ccc(F)cc2F)cc(C(F)(F)F)n1
InChIInChI=1S/C12H8F5N3O/c1-18-11-19-9(12(15,16)17)5-10(20-11)21-8-3-2-6(13)4-7(8)14/h2-5H,1H3,(H,18,19,20)
InChIKeyDXQQYEBGOKECEI-UHFFFAOYSA-N
XLogP3.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,4-difluorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-ethylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566390
4-N-(2,4-difluorophenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563686
4-(2,4-difluorophenoxy)-2-[(3-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
CID 46033850
[4-(2,3-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567786
N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566189
4-(4-bromo-3-methylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566596
6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine
CID 80862951
2-chloro-4-(2-fluorophenoxy)-6-(trifluoromethyl)pyrimidine
CID 114562029
[4-(2,4-difluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80917292
[4-(2,4-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567733
N-methyl-4-(1-methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566614
6-(4-fluoro-2-methylphenoxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720071

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,4-difluorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566298) is 4-(2,4-difluorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,4-difluorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is CNc1nc(Oc2ccc(F)cc2F)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(2,4-difluorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is DXQQYEBGOKECEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F5N3O/c1-18-11-19-9(12(15,16)17)5-10(20-11)21-8-3-2-6(13)4-7(8)14/h2-5H,1H3,(H,18,19,20).
What are the key properties of 4-(2,4-difluorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2,4-difluorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 305.21 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).