N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine

C19H13F3N6 — CID 14347169

IUPACN-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine
SMILESFC(F)(F)c1cc(Nc2nccc(-c3ccncc3)n2)ccc1-n1ccnc1
InChIInChI=1S/C19H13F3N6/c20-19(21,22)15-11-14(1-2-17(15)28-10-9-24-12-28)26-18-25-8-5-16(27-18)13-3-6-23-7-4-13/h1-12H,(H,25,26,27)
InChIKeyAFKWNRCLQDGIPI-UHFFFAOYSA-N
MW382.35 g/mol
LogP4.49
Rot. Bonds4

About N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine

N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine (PubChem CID 14347169) has the molecular formula C19H13F3N6 and a molecular weight of 382.35 g/mol. Its IUPAC name is N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine
PubChem CID14347169
Molecular FormulaC19H13F3N6
Molecular Weight382.35 g/mol
Exact Mass382.12
IUPAC NameN-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine
SMILESFC(F)(F)c1cc(Nc2nccc(-c3ccncc3)n2)ccc1-n1ccnc1
InChIInChI=1S/C19H13F3N6/c20-19(21,22)15-11-14(1-2-17(15)28-10-9-24-12-28)26-18-25-8-5-16(27-18)13-3-6-23-7-4-13/h1-12H,(H,25,26,27)
InChIKeyAFKWNRCLQDGIPI-UHFFFAOYSA-N
XLogP4.49
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine (CID 14347169) is N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine is FC(F)(F)c1cc(Nc2nccc(-c3ccncc3)n2)ccc1-n1ccnc1.
What is the InChIKey of N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is AFKWNRCLQDGIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6/c20-19(21,22)15-11-14(1-2-17(15)28-10-9-24-12-28)26-18-25-8-5-16(27-18)13-3-6-23-7-4-13/h1-12H,(H,25,26,27).
What are the key properties of N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine?
N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 382.35 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-4-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 14347169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).