6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine

C13H11F4N3 — CID 107290483

IUPAC6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(-c2ccc(C(F)(F)F)c(F)c2)c1C
InChIInChI=1S/C13H11F4N3/c1-7-11(19-6-20-12(7)18-2)8-3-4-9(10(14)5-8)13(15,16)17/h3-6H,1-2H3,(H,18,19,20)
InChIKeyJOTWHTMBDSJZLC-UHFFFAOYSA-N
MW285.24 g/mol
LogP3.65
Rot. Bonds2

About 6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine

6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine (PubChem CID 107290483) has the molecular formula C13H11F4N3 and a molecular weight of 285.24 g/mol. Its IUPAC name is 6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine
PubChem CID107290483
Molecular FormulaC13H11F4N3
Molecular Weight285.24 g/mol
Exact Mass285.09
IUPAC Name6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(-c2ccc(C(F)(F)F)c(F)c2)c1C
InChIInChI=1S/C13H11F4N3/c1-7-11(19-6-20-12(7)18-2)8-3-4-9(10(14)5-8)13(15,16)17/h3-6H,1-2H3,(H,18,19,20)
InChIKeyJOTWHTMBDSJZLC-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine (CID 107290483) is 6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine is CNc1ncnc(-c2ccc(C(F)(F)F)c(F)c2)c1C.
What is the InChIKey of 6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine?
The InChIKey is JOTWHTMBDSJZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3/c1-7-11(19-6-20-12(7)18-2)8-3-4-9(10(14)5-8)13(15,16)17/h3-6H,1-2H3,(H,18,19,20).
What are the key properties of 6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine?
6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine has a molecular weight of 285.24 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 107290483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).