4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine

C11H8F3N3O — CID 80862559

IUPAC4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
SMILESNc1nccc(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)7-3-1-2-4-8(7)18-9-5-6-16-10(15)17-9/h1-6H,(H2,15,16,17)
InChIKeyVXFKRRWJPUBRNU-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.87
Rot. Bonds2

About 4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine

4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine (PubChem CID 80862559) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
PubChem CID80862559
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
SMILESNc1nccc(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)7-3-1-2-4-8(7)18-9-5-6-16-10(15)17-9/h1-6H,(H2,15,16,17)
InChIKeyVXFKRRWJPUBRNU-UHFFFAOYSA-N
XLogP2.87
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The IUPAC name of 4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine (CID 80862559) is 4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine is Nc1nccc(Oc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
The InChIKey is VXFKRRWJPUBRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)7-3-1-2-4-8(7)18-9-5-6-16-10(15)17-9/h1-6H,(H2,15,16,17).
What are the key properties of 4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine?
4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine has a molecular weight of 255.20 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine is sourced from PubChem (CID 80862559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).