N-[(Z)-2-(4-piperidin-1-ylpyrimidin-2-yl)-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine

C17H19F3N6 — CID 139359164

IUPACN-[(Z)-2-(4-piperidin-1-ylpyrimidin-2-yl)-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine
SMILESC=N/C=C(/c1nccc(N2CCCCC2)n1)N1C=C(C(F)(F)F)N=CC1
InChIInChI=1S/C17H19F3N6/c1-21-11-13(26-10-7-22-14(12-26)17(18,19)20)16-23-6-5-15(24-16)25-8-3-2-4-9-25/h5-7,11-12H,1-4,8-10H2/b13-11-
InChIKeyFHYXAWWUTPHHEU-QBFSEMIESA-N
MW364.38 g/mol
LogP3.26
Rot. Bonds4

About N-[(Z)-2-(4-piperidin-1-ylpyrimidin-2-yl)-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine

N-[(Z)-2-(4-piperidin-1-ylpyrimidin-2-yl)-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine (PubChem CID 139359164) has the molecular formula C17H19F3N6 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[(Z)-2-(4-piperidin-1-ylpyrimidin-2-yl)-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-(4-piperidin-1-ylpyrimidin-2-yl)-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine
PubChem CID139359164
Molecular FormulaC17H19F3N6
Molecular Weight364.38 g/mol
Exact Mass364.16
IUPAC NameN-[(Z)-2-(4-piperidin-1-ylpyrimidin-2-yl)-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine
SMILESC=N/C=C(/c1nccc(N2CCCCC2)n1)N1C=C(C(F)(F)F)N=CC1
InChIInChI=1S/C17H19F3N6/c1-21-11-13(26-10-7-22-14(12-26)17(18,19)20)16-23-6-5-15(24-16)25-8-3-2-4-9-25/h5-7,11-12H,1-4,8-10H2/b13-11-
InChIKeyFHYXAWWUTPHHEU-QBFSEMIESA-N
XLogP3.26
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(4-piperidin-1-ylpyrimidin-2-yl)-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine?
The IUPAC name of N-[(Z)-2-(4-piperidin-1-ylpyrimidin-2-yl)-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine (CID 139359164) is N-[(Z)-2-(4-piperidin-1-ylpyrimidin-2-yl)-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-(4-piperidin-1-ylpyrimidin-2-yl)-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-(4-piperidin-1-ylpyrimidin-2-yl)-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine is C=N/C=C(/c1nccc(N2CCCCC2)n1)N1C=C(C(F)(F)F)N=CC1.
What is the InChIKey of N-[(Z)-2-(4-piperidin-1-ylpyrimidin-2-yl)-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine?
The InChIKey is FHYXAWWUTPHHEU-QBFSEMIESA-N. The full InChI is InChI=1S/C17H19F3N6/c1-21-11-13(26-10-7-22-14(12-26)17(18,19)20)16-23-6-5-15(24-16)25-8-3-2-4-9-25/h5-7,11-12H,1-4,8-10H2/b13-11-.
What are the key properties of N-[(Z)-2-(4-piperidin-1-ylpyrimidin-2-yl)-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine?
N-[(Z)-2-(4-piperidin-1-ylpyrimidin-2-yl)-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine has a molecular weight of 364.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(4-piperidin-1-ylpyrimidin-2-yl)-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine is sourced from PubChem (CID 139359164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).