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

C17H19F3N6O — CID 139359177

IUPAC1-[2-[(Z)-2-(methylideneamino)-1-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-4-ol
SMILESC=N/C=C(/c1nccc(N2CCC(O)CC2)n1)N1C=C(C(F)(F)F)N=CC1
InChIInChI=1S/C17H19F3N6O/c1-21-10-13(26-9-6-22-14(11-26)17(18,19)20)16-23-5-2-15(24-16)25-7-3-12(27)4-8-25/h2,5-6,10-12,27H,1,3-4,7-9H2/b13-10-
InChIKeyBUDKWVMLTMJUGJ-RAXLEYEMSA-N
MW380.37 g/mol
LogP2.23
Rot. Bonds4

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

1-[2-[(Z)-2-(methylideneamino)-1-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 139359177) has the molecular formula C17H19F3N6O and a molecular weight of 380.37 g/mol. Its IUPAC name is 1-[2-[(Z)-2-(methylideneamino)-1-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(Z)-2-(methylideneamino)-1-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-4-ol
PubChem CID139359177
Molecular FormulaC17H19F3N6O
Molecular Weight380.37 g/mol
Exact Mass380.16
IUPAC Name1-[2-[(Z)-2-(methylideneamino)-1-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-4-ol
SMILESC=N/C=C(/c1nccc(N2CCC(O)CC2)n1)N1C=C(C(F)(F)F)N=CC1
InChIInChI=1S/C17H19F3N6O/c1-21-10-13(26-9-6-22-14(11-26)17(18,19)20)16-23-5-2-15(24-16)25-7-3-12(27)4-8-25/h2,5-6,10-12,27H,1,3-4,7-9H2/b13-10-
InChIKeyBUDKWVMLTMJUGJ-RAXLEYEMSA-N
XLogP2.23
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.23
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

CP-642931
CID 10132209
1-{4-[2,6-Dimethyl-4-(4-methyl-[1,3,5]triazin-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 9945366
1-(4-{4-[2-(2-Hydroxy-ethyl)-pyrimidin-4-yl]-2-methyl-piperazin-1-yl}-pyrimidin-2-yl)-ethanol
CID 44366419
1-(4-{4-[2-(2-Hydroxy-ethyl)-pyrimidin-4-yl]-piperazin-1-yl}-pyrimidin-2-yl)-ethanol
CID 44366180
(1R)-1-[4-[(2S)-4-[2-(2-hydroxyethyl)pyrimidin-4-yl]-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 44366420
1-(4-{4-[2-(2-Hydroxy-ethyl)-pyrimidin-4-yl]-2,6-dimethyl-piperazin-1-yl}-pyrimidin-2-yl)-ethanol
CID 44366455
1-(Pyrimidin-2-yl)piperidin-4-ol
CID 20234098
1-(Pyrimidin-4-yl)piperidin-4-ol
CID 17959854
1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol
CID 2795837
1-[4-[4-(4,6-Dimethyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22088670
1-[6-(4-Cyclopentyl-1,4-diazepan-1-yl)-4-pyrimidinyl]-4-piperidinol
CID 72857650
5-(4-{[1-(1-Methylethyl)-4-piperidinyl]oxy}-1 piperidinyl)-2-(trifluoromethyl) pyrimidine
CID 58747984

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(Z)-2-(methylideneamino)-1-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-[(Z)-2-(methylideneamino)-1-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-4-ol (CID 139359177) is 1-[2-[(Z)-2-(methylideneamino)-1-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[(Z)-2-(methylideneamino)-1-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-[(Z)-2-(methylideneamino)-1-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-4-ol is C=N/C=C(/c1nccc(N2CCC(O)CC2)n1)N1C=C(C(F)(F)F)N=CC1.
What is the InChIKey of 1-[2-[(Z)-2-(methylideneamino)-1-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is BUDKWVMLTMJUGJ-RAXLEYEMSA-N. The full InChI is InChI=1S/C17H19F3N6O/c1-21-10-13(26-9-6-22-14(11-26)17(18,19)20)16-23-5-2-15(24-16)25-7-3-12(27)4-8-25/h2,5-6,10-12,27H,1,3-4,7-9H2/b13-10-.
What are the key properties of 1-[2-[(Z)-2-(methylideneamino)-1-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-4-ol?
1-[2-[(Z)-2-(methylideneamino)-1-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 380.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(Z)-2-(methylideneamino)-1-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 139359177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).