5-fluoro-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine

C12H9F4N3O — CID 80862637

IUPAC5-fluoro-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
SMILESCNc1ncc(F)c(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H9F4N3O/c1-17-11-18-6-8(13)10(19-11)20-9-5-3-2-4-7(9)12(14,15)16/h2-6H,1H3,(H,17,18,19)
InChIKeyLYWBQRLIMGPYSY-UHFFFAOYSA-N
MW287.22 g/mol
LogP3.47
Rot. Bonds3

About 5-fluoro-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine

5-fluoro-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine (PubChem CID 80862637) has the molecular formula C12H9F4N3O and a molecular weight of 287.22 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
PubChem CID80862637
Molecular FormulaC12H9F4N3O
Molecular Weight287.22 g/mol
Exact Mass287.07
IUPAC Name5-fluoro-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
SMILESCNc1ncc(F)c(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H9F4N3O/c1-17-11-18-6-8(13)10(19-11)20-9-5-3-2-4-7(9)12(14,15)16/h2-6H,1H3,(H,17,18,19)
InChIKeyLYWBQRLIMGPYSY-UHFFFAOYSA-N
XLogP3.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80863242
5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80864968
4-(1-bromonaphthalen-2-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine
CID 80867027
5-fluoro-N-methyl-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
CID 80875822
4-(5-bromo-2-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 114677329
5-fluoro-N-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine
CID 80874791
4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80864146
5-fluoro-N-methyl-4-(1-phenylethoxy)pyrimidin-2-amine
CID 80860288
4-(3,5-dichlorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80874147
4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80876211
N-[1-[[3-fluoro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-2-(methylamino)pyrimidine-5-carboxamide
CID 70854590
N-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
CID 80637413

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine (CID 80862637) is 5-fluoro-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine is CNc1ncc(F)c(Oc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The InChIKey is LYWBQRLIMGPYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3O/c1-17-11-18-6-8(13)10(19-11)20-9-5-3-2-4-7(9)12(14,15)16/h2-6H,1H3,(H,17,18,19).
What are the key properties of 5-fluoro-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
5-fluoro-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine has a molecular weight of 287.22 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine is sourced from PubChem (CID 80862637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).