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

C17H11F4N3O2 — CID 11360535

IUPAC4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine
SMILESNc1c(Oc2ccccc2)ncnc1Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C17H11F4N3O2/c18-13-7-6-11(8-12(13)17(19,20)21)26-16-14(22)15(23-9-24-16)25-10-4-2-1-3-5-10/h1-9H,22H2
InChIKeyDTOLZRQNWAYPOO-UHFFFAOYSA-N
MW365.29 g/mol
LogP4.80
Rot. Bonds4

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

4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine (PubChem CID 11360535) has the molecular formula C17H11F4N3O2 and a molecular weight of 365.29 g/mol. Its IUPAC name is 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine.

Molecular Properties

Compound Name4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine
PubChem CID11360535
Molecular FormulaC17H11F4N3O2
Molecular Weight365.29 g/mol
Exact Mass365.08
IUPAC Name4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine
SMILESNc1c(Oc2ccccc2)ncnc1Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C17H11F4N3O2/c18-13-7-6-11(8-12(13)17(19,20)21)26-16-14(22)15(23-9-24-16)25-10-4-2-1-3-5-10/h1-9H,22H2
InChIKeyDTOLZRQNWAYPOO-UHFFFAOYSA-N
XLogP4.80
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 11246357
5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 102747880
2-bromo-4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 86637885
4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-N,N-dimethylpyrimidin-5-amine
CID 139845121
5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746895
3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 102746886
5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 103469823
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-methylpyrimidine;4,6-dichloro-5-methylpyrimidine
CID 157081646
4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-2-(furan-2-yl)pyrimidin-5-amine
CID 24891223
2-(1-benzothiophen-3-yl)-4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 24891174
5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 103583775
6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746921

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine?
The IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine (CID 11360535) is 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine.
What is the SMILES notation for 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine?
The canonical SMILES for 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine is Nc1c(Oc2ccccc2)ncnc1Oc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine?
The InChIKey is DTOLZRQNWAYPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O2/c18-13-7-6-11(8-12(13)17(19,20)21)26-16-14(22)15(23-9-24-16)25-10-4-2-1-3-5-10/h1-9H,22H2.
What are the key properties of 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine?
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine has a molecular weight of 365.29 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine is sourced from PubChem (CID 11360535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).