2,5-dimethyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine

C13H12F3N3O — CID 80862791

IUPAC2,5-dimethyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H12F3N3O/c1-7-11(17)18-8(2)19-12(7)20-10-6-4-3-5-9(10)13(14,15)16/h3-6H,1-2H3,(H2,17,18,19)
InChIKeyKZLSJKLARYJOSV-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.49
Rot. Bonds2

About 2,5-dimethyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine

2,5-dimethyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine (PubChem CID 80862791) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 2,5-dimethyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine
PubChem CID80862791
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2,5-dimethyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H12F3N3O/c1-7-11(17)18-8(2)19-12(7)20-10-6-4-3-5-9(10)13(14,15)16/h3-6H,1-2H3,(H2,17,18,19)
InChIKeyKZLSJKLARYJOSV-UHFFFAOYSA-N
XLogP3.49
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine (CID 80862791) is 2,5-dimethyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine is Cc1nc(N)c(C)c(Oc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2,5-dimethyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The InChIKey is KZLSJKLARYJOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-7-11(17)18-8(2)19-12(7)20-10-6-4-3-5-9(10)13(14,15)16/h3-6H,1-2H3,(H2,17,18,19).
What are the key properties of 2,5-dimethyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
2,5-dimethyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine has a molecular weight of 283.25 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 80862791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).