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

C12H9F4N3O — CID 107662740

IUPAC6-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cccc(Oc2cc(N)nc(C(F)(F)F)n2)c1F
InChIInChI=1S/C12H9F4N3O/c1-6-3-2-4-7(10(6)13)20-9-5-8(17)18-11(19-9)12(14,15)16/h2-5H,1H3,(H2,17,18,19)
InChIKeyOVCSJEYOKSFCII-UHFFFAOYSA-N
MW287.22 g/mol
LogP3.32
Rot. Bonds2

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

6-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 107662740) has the molecular formula C12H9F4N3O and a molecular weight of 287.22 g/mol. Its IUPAC name is 6-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID107662740
Molecular FormulaC12H9F4N3O
Molecular Weight287.22 g/mol
Exact Mass287.07
IUPAC Name6-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cccc(Oc2cc(N)nc(C(F)(F)F)n2)c1F
InChIInChI=1S/C12H9F4N3O/c1-6-3-2-4-7(10(6)13)20-9-5-8(17)18-11(19-9)12(14,15)16/h2-5H,1H3,(H2,17,18,19)
InChIKeyOVCSJEYOKSFCII-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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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine (CID 107662740) is 6-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine is Cc1cccc(Oc2cc(N)nc(C(F)(F)F)n2)c1F.
What is the InChIKey of 6-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is OVCSJEYOKSFCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3O/c1-6-3-2-4-7(10(6)13)20-9-5-8(17)18-11(19-9)12(14,15)16/h2-5H,1H3,(H2,17,18,19).
What are the key properties of 6-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(2-fluoro-3-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-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 107662740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).