2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine

C14H14F3N3O — CID 80988288

IUPAC2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H14F3N3O/c1-3-11-19-12(18)8(2)13(20-11)21-10-6-4-5-9(7-10)14(15,16)17/h4-7H,3H2,1-2H3,(H2,18,19,20)
InChIKeyLJVOHZGDYAXKLK-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.74
Rot. Bonds3

About 2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine

2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine (PubChem CID 80988288) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
PubChem CID80988288
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H14F3N3O/c1-3-11-19-12(18)8(2)13(20-11)21-10-6-4-5-9(7-10)14(15,16)17/h4-7H,3H2,1-2H3,(H2,18,19,20)
InChIKeyLJVOHZGDYAXKLK-UHFFFAOYSA-N
XLogP3.74
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
CID 80988500
2-ethyl-5-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80989458
2-ethyl-5-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80988712
6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine
CID 80988867
3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 57090864
N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874515
[5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine
CID 61096219
2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine
CID 80989485
4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 14724234
6-(3,4-difluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988630
6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989669
2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine
CID 80989583

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine (CID 80988288) is 2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine is CCc1nc(N)c(C)c(Oc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The InChIKey is LJVOHZGDYAXKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-3-11-19-12(18)8(2)13(20-11)21-10-6-4-5-9(7-10)14(15,16)17/h4-7H,3H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine has a molecular weight of 297.28 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 80988288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).