5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C13H12F3N3O — CID 62204241

IUPAC5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCc1nc(-c2ccccc2OC(F)(F)F)nc(N)c1C
InChIInChI=1S/C13H12F3N3O/c1-7-8(2)18-12(19-11(7)17)9-5-3-4-6-10(9)20-13(14,15)16/h3-6H,1-2H3,(H2,17,18,19)
InChIKeyFUXMIMNCKLPJJZ-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.24
Rot. Bonds2

About 5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine

5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 62204241) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID62204241
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCc1nc(-c2ccccc2OC(F)(F)F)nc(N)c1C
InChIInChI=1S/C13H12F3N3O/c1-7-8(2)18-12(19-11(7)17)9-5-3-4-6-10(9)20-13(14,15)16/h3-6H,1-2H3,(H2,17,18,19)
InChIKeyFUXMIMNCKLPJJZ-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 62204241) is 5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine is Cc1nc(-c2ccccc2OC(F)(F)F)nc(N)c1C.
What is the InChIKey of 5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is FUXMIMNCKLPJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-7-8(2)18-12(19-11(7)17)9-5-3-4-6-10(9)20-13(14,15)16/h3-6H,1-2H3,(H2,17,18,19).
What are the key properties of 5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 283.25 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 62204241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).