4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

C16H11F3N4 — CID 14347000

IUPAC4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(Nc2nccc(-c3ccncc3)n2)c1
InChIInChI=1S/C16H11F3N4/c17-16(18,19)12-2-1-3-13(10-12)22-15-21-9-6-14(23-15)11-4-7-20-8-5-11/h1-10H,(H,21,22,23)
InChIKeyZBOLLVAZLJOHPX-UHFFFAOYSA-N
MW316.29 g/mol
LogP4.30
Rot. Bonds3

About 4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 14347000) has the molecular formula C16H11F3N4 and a molecular weight of 316.29 g/mol. Its IUPAC name is 4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID14347000
Molecular FormulaC16H11F3N4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Name4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(Nc2nccc(-c3ccncc3)n2)c1
InChIInChI=1S/C16H11F3N4/c17-16(18,19)12-2-1-3-13(10-12)22-15-21-9-6-14(23-15)11-4-7-20-8-5-11/h1-10H,(H,21,22,23)
InChIKeyZBOLLVAZLJOHPX-UHFFFAOYSA-N
XLogP4.30
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]phenol
CID 170970775
N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 57446828
4-(1,3-benzodioxol-5-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 46926516
5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 170970744
4-(1H-imidazo[4,5-b]pyridin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 170970519
4-(7-fluoro-3H-benzimidazol-5-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 170970666
3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 14347136
5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,2-oxazole-3-carboxylic acid
CID 129318040
4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 175832958
2-hydroxy-5-[[3-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]phenyl]diazenyl]benzoic acid
CID 169123677
N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
CID 10413636
1-[3-[[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112905528

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 14347000) is 4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is FC(F)(F)c1cccc(Nc2nccc(-c3ccncc3)n2)c1.
What is the InChIKey of 4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is ZBOLLVAZLJOHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4/c17-16(18,19)12-2-1-3-13(10-12)22-15-21-9-6-14(23-15)11-4-7-20-8-5-11/h1-10H,(H,21,22,23).
What are the key properties of 4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 316.29 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 14347000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).