4-(trifluoromethyl)-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine

C14H14F3N3O — CID 114566380

IUPAC4-(trifluoromethyl)-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
SMILESCc1cc(C)c(C)c(Oc2cc(C(F)(F)F)nc(N)n2)c1
InChIInChI=1S/C14H14F3N3O/c1-7-4-8(2)9(3)10(5-7)21-12-6-11(14(15,16)17)19-13(18)20-12/h4-6H,1-3H3,(H2,18,19,20)
InChIKeyQXGKDYCOPGEYCE-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.80
Rot. Bonds2

About 4-(trifluoromethyl)-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine

4-(trifluoromethyl)-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine (PubChem CID 114566380) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-(trifluoromethyl)-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
PubChem CID114566380
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name4-(trifluoromethyl)-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
SMILESCc1cc(C)c(C)c(Oc2cc(C(F)(F)F)nc(N)n2)c1
InChIInChI=1S/C14H14F3N3O/c1-7-4-8(2)9(3)10(5-7)21-12-6-11(14(15,16)17)19-13(18)20-12/h4-6H,1-3H3,(H2,18,19,20)
InChIKeyQXGKDYCOPGEYCE-UHFFFAOYSA-N
XLogP3.80
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromo-3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 107727377
4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566565
[4-(2,4-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567733
2-chloro-4-(trifluoromethyl)-6-(2,4,6-trimethylphenoxy)pyrimidine
CID 58974962
[2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916646
ethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 67833415
[4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567743
4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine
CID 695400
4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566550
4-(4-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566211
4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80862420
4-(4,4,4-trifluorobutoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566585

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine?
The IUPAC name of 4-(trifluoromethyl)-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine (CID 114566380) is 4-(trifluoromethyl)-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-(trifluoromethyl)-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-(trifluoromethyl)-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine is Cc1cc(C)c(C)c(Oc2cc(C(F)(F)F)nc(N)n2)c1.
What is the InChIKey of 4-(trifluoromethyl)-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine?
The InChIKey is QXGKDYCOPGEYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-7-4-8(2)9(3)10(5-7)21-12-6-11(14(15,16)17)19-13(18)20-12/h4-6H,1-3H3,(H2,18,19,20).
What are the key properties of 4-(trifluoromethyl)-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine?
4-(trifluoromethyl)-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine has a molecular weight of 297.28 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 114566380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).