6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine

C13H12F3N3O — CID 106774078

IUPAC6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(C)c(Oc2cc(N)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C13H12F3N3O/c1-7-3-4-8(2)9(5-7)20-11-6-10(17)18-12(19-11)13(14,15)16/h3-6H,1-2H3,(H2,17,18,19)
InChIKeyVAJXSICCLXGFGZ-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.49
Rot. Bonds2

About 6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine

6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774078) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774078
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(C)c(Oc2cc(N)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C13H12F3N3O/c1-7-3-4-8(2)9(5-7)20-11-6-10(17)18-12(19-11)13(14,15)16/h3-6H,1-2H3,(H2,17,18,19)
InChIKeyVAJXSICCLXGFGZ-UHFFFAOYSA-N
XLogP3.49
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774078) is 6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine is Cc1ccc(C)c(Oc2cc(N)nc(C(F)(F)F)n2)c1.
What is the InChIKey of 6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is VAJXSICCLXGFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-7-3-4-8(2)9(5-7)20-11-6-10(17)18-12(19-11)13(14,15)16/h3-6H,1-2H3,(H2,17,18,19).
What are the key properties of 6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 283.25 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).