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

C17H20F2N6 — CID 139358357

IUPACN-[(Z)-2-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(4-piperidin-1-ylpyrimidin-2-yl)ethenyl]methanimine
SMILESC=N/C=C(/c1nccc(N2CCCCC2)n1)N1C=C(C(F)F)N=CC1
InChIInChI=1S/C17H20F2N6/c1-20-11-14(25-10-7-21-13(12-25)16(18)19)17-22-6-5-15(23-17)24-8-3-2-4-9-24/h5-7,11-12,16H,1-4,8-10H2/b14-11-
InChIKeyLWVAHYMNNWNRAX-KAMYIIQDSA-N
MW346.39 g/mol
LogP2.96
Rot. Bonds5

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

N-[(Z)-2-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(4-piperidin-1-ylpyrimidin-2-yl)ethenyl]methanimine (PubChem CID 139358357) has the molecular formula C17H20F2N6 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(Z)-2-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(4-piperidin-1-ylpyrimidin-2-yl)ethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(4-piperidin-1-ylpyrimidin-2-yl)ethenyl]methanimine
PubChem CID139358357
Molecular FormulaC17H20F2N6
Molecular Weight346.39 g/mol
Exact Mass346.17
IUPAC NameN-[(Z)-2-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(4-piperidin-1-ylpyrimidin-2-yl)ethenyl]methanimine
SMILESC=N/C=C(/c1nccc(N2CCCCC2)n1)N1C=C(C(F)F)N=CC1
InChIInChI=1S/C17H20F2N6/c1-20-11-14(25-10-7-21-13(12-25)16(18)19)17-22-6-5-15(23-17)24-8-3-2-4-9-24/h5-7,11-12,16H,1-4,8-10H2/b14-11-
InChIKeyLWVAHYMNNWNRAX-KAMYIIQDSA-N
XLogP2.96
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(Piperidin-1-yl)pyrimidine
CID 11446518
2-[4-(Propan-2-yl)piperazin-1-yl]pyrimidine
CID 13375504
1-N,4-N-bis[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine
CID 157010573
2,4-Di(piperidin-1-yl)pyrimidine
CID 239987
4-Piperidin-1-ylpyrimidin-2-amine
CID 295758
8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane
CID 657506
2-(4-Methylpiperazin-1-yl)pyrimidine
CID 10329895
4-(4'-Methylpiperazinyl)pyrimidine
CID 53723564
1-(Pyrimidin-2-yl)piperidin-3-amine
CID 45075105
2-(4,4-Dimethylpiperazin-4-ium-1-yl)pyrimidine iodide
CID 11034544
2-N,2-N,4-N-trimethyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 75421951
1-N-pyrimidin-4-yl-4-N-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine
CID 168277278

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(4-piperidin-1-ylpyrimidin-2-yl)ethenyl]methanimine?
The IUPAC name of N-[(Z)-2-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(4-piperidin-1-ylpyrimidin-2-yl)ethenyl]methanimine (CID 139358357) is N-[(Z)-2-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(4-piperidin-1-ylpyrimidin-2-yl)ethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(4-piperidin-1-ylpyrimidin-2-yl)ethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(4-piperidin-1-ylpyrimidin-2-yl)ethenyl]methanimine is C=N/C=C(/c1nccc(N2CCCCC2)n1)N1C=C(C(F)F)N=CC1.
What is the InChIKey of N-[(Z)-2-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(4-piperidin-1-ylpyrimidin-2-yl)ethenyl]methanimine?
The InChIKey is LWVAHYMNNWNRAX-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H20F2N6/c1-20-11-14(25-10-7-21-13(12-25)16(18)19)17-22-6-5-15(23-17)24-8-3-2-4-9-24/h5-7,11-12,16H,1-4,8-10H2/b14-11-.
What are the key properties of N-[(Z)-2-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(4-piperidin-1-ylpyrimidin-2-yl)ethenyl]methanimine?
N-[(Z)-2-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(4-piperidin-1-ylpyrimidin-2-yl)ethenyl]methanimine has a molecular weight of 346.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(4-piperidin-1-ylpyrimidin-2-yl)ethenyl]methanimine is sourced from PubChem (CID 139358357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).