6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine

C12H9F4N3O — CID 107171778

IUPAC6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(Oc2cc(N)nc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C12H9F4N3O/c1-6-2-3-7(4-8(6)13)20-10-5-9(17)18-11(19-10)12(14,15)16/h2-5H,1H3,(H2,17,18,19)
InChIKeyBJXOCLCNEVFGKG-UHFFFAOYSA-N
MW287.22 g/mol
LogP3.32
Rot. Bonds2

About 6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine

6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 107171778) has the molecular formula C12H9F4N3O and a molecular weight of 287.22 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID107171778
Molecular FormulaC12H9F4N3O
Molecular Weight287.22 g/mol
Exact Mass287.07
IUPAC Name6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(Oc2cc(N)nc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C12H9F4N3O/c1-6-2-3-7(4-8(6)13)20-10-5-9(17)18-11(19-10)12(14,15)16/h2-5H,1H3,(H2,17,18,19)
InChIKeyBJXOCLCNEVFGKG-UHFFFAOYSA-N
XLogP3.32
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774078
6-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107662740
6-(3-bromophenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774103
2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169197
4-chloro-6-(3,4-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766697
4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine
CID 107169142
4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 80962880
[6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776400
2-(3-fluoro-4-methylphenoxy)-5-methylpyridin-4-amine
CID 107168502
[2-tert-butyl-6-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methanamine
CID 107170699
6-(3-fluoro-4-methylphenoxy)-2-N-methylpyridine-2,3-diamine
CID 68661487
4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169176

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine (CID 107171778) is 6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine is Cc1ccc(Oc2cc(N)nc(C(F)(F)F)n2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BJXOCLCNEVFGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3O/c1-6-2-3-7(4-8(6)13)20-10-5-9(17)18-11(19-10)12(14,15)16/h2-5H,1H3,(H2,17,18,19).
What are the key properties of 6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 287.22 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 107171778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).