4-(2-ethylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

C14H14F3N3O — CID 114566390

IUPAC4-(2-ethylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCc1ccccc1Oc1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C14H14F3N3O/c1-3-9-6-4-5-7-10(9)21-12-8-11(14(15,16)17)19-13(18-2)20-12/h4-8H,3H2,1-2H3,(H,18,19,20)
InChIKeyFSFSMTRIOCYQCC-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.89
Rot. Bonds4

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

4-(2-ethylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566390) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-(2-ethylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566390
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name4-(2-ethylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCc1ccccc1Oc1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C14H14F3N3O/c1-3-9-6-4-5-7-10(9)21-12-8-11(14(15,16)17)19-13(18-2)20-12/h4-8H,3H2,1-2H3,(H,18,19,20)
InChIKeyFSFSMTRIOCYQCC-UHFFFAOYSA-N
XLogP3.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-ethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567761
4-(2,4-difluorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566298
N-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566398
2-chloro-6-(2-ethylphenoxy)-4-(trifluoromethyl)pyridine
CID 102715226
6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80874565
N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566189
4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80875948
6-(2-ethylphenoxy)-N-methylpyrazin-2-amine
CID 80875842
4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566199
N-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 102989343
4-(4-bromo-3-methylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566596
[4-(2,3-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567786

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-ethylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566390) is 4-(2-ethylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is CCc1ccccc1Oc1cc(C(F)(F)F)nc(NC)n1.
What is the InChIKey of 4-(2-ethylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is FSFSMTRIOCYQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-3-9-6-4-5-7-10(9)21-12-8-11(14(15,16)17)19-13(18-2)20-12/h4-8H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 4-(2-ethylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2-ethylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 297.28 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).