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

C13H11F4N3O — CID 102747880

IUPAC5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESCCc1c(N)ncnc1Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H11F4N3O/c1-2-8-11(18)19-6-20-12(8)21-7-3-4-10(14)9(5-7)13(15,16)17/h3-6H,2H2,1H3,(H2,18,19,20)
InChIKeyNYWXYOAJZCLLDA-UHFFFAOYSA-N
MW301.24 g/mol
LogP3.57
Rot. Bonds3

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

5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine (PubChem CID 102747880) has the molecular formula C13H11F4N3O and a molecular weight of 301.24 g/mol. Its IUPAC name is 5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
PubChem CID102747880
Molecular FormulaC13H11F4N3O
Molecular Weight301.24 g/mol
Exact Mass301.08
IUPAC Name5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESCCc1c(N)ncnc1Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H11F4N3O/c1-2-8-11(18)19-6-20-12(8)21-7-3-4-10(14)9(5-7)13(15,16)17/h3-6H,2H2,1H3,(H2,18,19,20)
InChIKeyNYWXYOAJZCLLDA-UHFFFAOYSA-N
XLogP3.57
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine
CID 11360535
4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-N,N-dimethylpyrimidin-5-amine
CID 139845121
4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 11246357
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-methylpyrimidine;4,6-dichloro-5-methylpyrimidine
CID 157081646
5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine
CID 80863933
5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746895
4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine
CID 63878128
2-bromo-4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 86637885
[3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol
CID 80872602
5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 103469823
6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine
CID 80878189
2-[4-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710167

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine (CID 102747880) is 5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine is CCc1c(N)ncnc1Oc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The InChIKey is NYWXYOAJZCLLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3O/c1-2-8-11(18)19-6-20-12(8)21-7-3-4-10(14)9(5-7)13(15,16)17/h3-6H,2H2,1H3,(H2,18,19,20).
What are the key properties of 5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine has a molecular weight of 301.24 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 102747880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).