[1-[2-[(Z)-1-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(methylideneamino)ethenyl]pyrimidin-4-yl]piperidin-2-yl]methanol

C18H22F2N6O — CID 139358554

IUPAC[1-[2-[(Z)-1-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(methylideneamino)ethenyl]pyrimidin-4-yl]piperidin-2-yl]methanol
SMILESC=N/C=C(/c1nccc(N2CCCCC2CO)n1)N1C=C(C(F)F)N=CC1
InChIInChI=1S/C18H22F2N6O/c1-21-10-15(25-9-7-22-14(11-25)17(19)20)18-23-6-5-16(24-18)26-8-3-2-4-13(26)12-27/h5-7,10-11,13,17,27H,1-4,8-9,12H2/b15-10-
InChIKeyBWCCMOREGCFGLK-GDNBJRDFSA-N
MW376.41 g/mol
LogP2.32
Rot. Bonds6

About [1-[2-[(Z)-1-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(methylideneamino)ethenyl]pyrimidin-4-yl]piperidin-2-yl]methanol

[1-[2-[(Z)-1-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(methylideneamino)ethenyl]pyrimidin-4-yl]piperidin-2-yl]methanol (PubChem CID 139358554) has the molecular formula C18H22F2N6O and a molecular weight of 376.41 g/mol. Its IUPAC name is [1-[2-[(Z)-1-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(methylideneamino)ethenyl]pyrimidin-4-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(Z)-1-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(methylideneamino)ethenyl]pyrimidin-4-yl]piperidin-2-yl]methanol
PubChem CID139358554
Molecular FormulaC18H22F2N6O
Molecular Weight376.41 g/mol
Exact Mass376.18
IUPAC Name[1-[2-[(Z)-1-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(methylideneamino)ethenyl]pyrimidin-4-yl]piperidin-2-yl]methanol
SMILESC=N/C=C(/c1nccc(N2CCCCC2CO)n1)N1C=C(C(F)F)N=CC1
InChIInChI=1S/C18H22F2N6O/c1-21-10-15(25-9-7-22-14(11-25)17(19)20)18-23-6-5-16(24-18)26-8-3-2-4-13(26)12-27/h5-7,10-11,13,17,27H,1-4,8-9,12H2/b15-10-
InChIKeyBWCCMOREGCFGLK-GDNBJRDFSA-N
XLogP2.32
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[1-(Pyrimidin-4-yl)piperidin-2-yl]methanol
CID 61254152
1-[2-(Trifluoromethyl)pyrimidin-5-yl]piperidin-3-ol
CID 71226407
[1-[2-[(Z)-1-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(methylideneamino)ethenyl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 139358337
N-[(Z)-2-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(4-piperidin-1-ylpyrimidin-2-yl)ethenyl]methanimine
CID 139358357
[(2R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol
CID 139358550
2-[1-[2-[(Z)-2-(methylideneamino)-1-[5-(2,2,2-trifluoroethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-3-yl]ethanol
CID 139358700
[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-[2-[(Z)-2-(methylideneamino)-1-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 139358760
N-[(Z)-2-(4-piperidin-1-ylpyrimidin-2-yl)-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine
CID 139359164
1-[2-[(Z)-2-(methylideneamino)-1-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-4-ol
CID 139359177
(Z)-3-amino-N'-[4-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-6-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]but-2-enimidamide
CID 143753734
[1-[2-[(Z)-2-(methylideneamino)-1-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 153330772
[1-[2-[(Z)-2-(methylideneamino)-1-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-2-yl]methanol
CID 153331007

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(Z)-1-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(methylideneamino)ethenyl]pyrimidin-4-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-[(Z)-1-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(methylideneamino)ethenyl]pyrimidin-4-yl]piperidin-2-yl]methanol (CID 139358554) is [1-[2-[(Z)-1-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(methylideneamino)ethenyl]pyrimidin-4-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[(Z)-1-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(methylideneamino)ethenyl]pyrimidin-4-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-[(Z)-1-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(methylideneamino)ethenyl]pyrimidin-4-yl]piperidin-2-yl]methanol is C=N/C=C(/c1nccc(N2CCCCC2CO)n1)N1C=C(C(F)F)N=CC1.
What is the InChIKey of [1-[2-[(Z)-1-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(methylideneamino)ethenyl]pyrimidin-4-yl]piperidin-2-yl]methanol?
The InChIKey is BWCCMOREGCFGLK-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H22F2N6O/c1-21-10-15(25-9-7-22-14(11-25)17(19)20)18-23-6-5-16(24-18)26-8-3-2-4-13(26)12-27/h5-7,10-11,13,17,27H,1-4,8-9,12H2/b15-10-.
What are the key properties of [1-[2-[(Z)-1-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(methylideneamino)ethenyl]pyrimidin-4-yl]piperidin-2-yl]methanol?
[1-[2-[(Z)-1-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(methylideneamino)ethenyl]pyrimidin-4-yl]piperidin-2-yl]methanol has a molecular weight of 376.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(Z)-1-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(methylideneamino)ethenyl]pyrimidin-4-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 139358554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).