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

C14H14F3N3O — CID 80988712

IUPAC2-ethyl-5-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H14F3N3O/c1-3-11-19-12(18)8(2)13(20-11)21-10-7-5-4-6-9(10)14(15,16)17/h4-7H,3H2,1-2H3,(H2,18,19,20)
InChIKeyUVHZXBSMBZOREI-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.74
Rot. Bonds3

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

2-ethyl-5-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine (PubChem CID 80988712) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine
PubChem CID80988712
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name2-ethyl-5-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H14F3N3O/c1-3-11-19-12(18)8(2)13(20-11)21-10-7-5-4-6-9(10)14(15,16)17/h4-7H,3H2,1-2H3,(H2,18,19,20)
InChIKeyUVHZXBSMBZOREI-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-(2-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80990825
2-ethyl-5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-amine
CID 80988350
2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80988288
6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989252
2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
CID 80988500
6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine
CID 80988867
2-ethyl-6-methoxy-5-methylpyrimidin-4-amine
CID 80988448
2-ethyl-5-methyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
CID 82959205
2-ethyl-5-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80989458
5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 104507209
4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80862420
5-methyl-2-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80978112

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine (CID 80988712) is 2-ethyl-5-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine is CCc1nc(N)c(C)c(Oc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-ethyl-5-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The InChIKey is UVHZXBSMBZOREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-3-11-19-12(18)8(2)13(20-11)21-10-7-5-4-6-9(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-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
2-ethyl-5-methyl-6-[2-(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-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 80988712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).