1-[2-methyl-4-(2-methylpiperidin-4-yl)pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine

C20H23F3N4O — CID 118378441

IUPAC1-[2-methyl-4-(2-methylpiperidin-4-yl)pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine
SMILESCC(=NOc1cccc(C(F)(F)F)c1)c1cnc(C)nc1C1CCNC(C)C1
InChIInChI=1S/C20H23F3N4O/c1-12-9-15(7-8-24-12)19-18(11-25-14(3)26-19)13(2)27-28-17-6-4-5-16(10-17)20(21,22)23/h4-6,10-12,15,24H,7-9H2,1-3H3
InChIKeyVHNBEOYICFVJOZ-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.46
Rot. Bonds4

About 1-[2-methyl-4-(2-methylpiperidin-4-yl)pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine

1-[2-methyl-4-(2-methylpiperidin-4-yl)pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine (PubChem CID 118378441) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-[2-methyl-4-(2-methylpiperidin-4-yl)pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine.

Molecular Properties

Compound Name1-[2-methyl-4-(2-methylpiperidin-4-yl)pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine
PubChem CID118378441
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC Name1-[2-methyl-4-(2-methylpiperidin-4-yl)pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine
SMILESCC(=NOc1cccc(C(F)(F)F)c1)c1cnc(C)nc1C1CCNC(C)C1
InChIInChI=1S/C20H23F3N4O/c1-12-9-15(7-8-24-12)19-18(11-25-14(3)26-19)13(2)27-28-17-6-4-5-16(10-17)20(21,22)23/h4-6,10-12,15,24H,7-9H2,1-3H3
InChIKeyVHNBEOYICFVJOZ-UHFFFAOYSA-N
XLogP4.46
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-difluorophenyl)-1-[4-[2-methyl-5-[C-methyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 154344622
4-[5-[(Z)-N-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]oxy]-C-methylcarbonimidoyl]-2-methylpyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 118378207
2-methoxyimino-2-[2-[C-methyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]phenyl]acetamide
CID 54152955
2-(2,6-difluorophenyl)-1-[4-[2-methyl-5-[(E)-C-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]oxy]carbonimidoyl]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 118378474
N-(2,6-difluorophenyl)-4-[2-methyl-5-[C-methyl-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxycarbonimidoyl]pyrimidin-4-yl]piperidine-1-carboxamide
CID 154211625
N-(2,6-difluorophenyl)-4-[2-methyl-5-[C-methyl-N-[2-(trifluoromethyl)pyrimidin-4-yl]oxycarbonimidoyl]pyrimidin-4-yl]piperidine-1-carboxamide
CID 154176354
2-pyrrolidin-2-yl-5-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 117231493
N-[(2-chloro-4-pyridinyl)oxy]-1-(2-methylsulfanyl-4-piperidin-4-ylpyrimidin-5-yl)ethanimine;hydrochloride
CID 118378173
3-methoxy-2-[2-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]but-2-enoic acid
CID 139654305
[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate
CID 174645067
2-(2,6-difluorophenyl)-1-[4-[2,6-dimethyl-5-[(Z)-C-propyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 118378089
(Z)-1-[1,5-bis(3-methoxyphenyl)-2-methylpyrrol-3-yl]-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 42796568

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(2-methylpiperidin-4-yl)pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine?
The IUPAC name of 1-[2-methyl-4-(2-methylpiperidin-4-yl)pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine (CID 118378441) is 1-[2-methyl-4-(2-methylpiperidin-4-yl)pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine.
What is the SMILES notation for 1-[2-methyl-4-(2-methylpiperidin-4-yl)pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine?
The canonical SMILES for 1-[2-methyl-4-(2-methylpiperidin-4-yl)pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine is CC(=NOc1cccc(C(F)(F)F)c1)c1cnc(C)nc1C1CCNC(C)C1.
What is the InChIKey of 1-[2-methyl-4-(2-methylpiperidin-4-yl)pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine?
The InChIKey is VHNBEOYICFVJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c1-12-9-15(7-8-24-12)19-18(11-25-14(3)26-19)13(2)27-28-17-6-4-5-16(10-17)20(21,22)23/h4-6,10-12,15,24H,7-9H2,1-3H3.
What are the key properties of 1-[2-methyl-4-(2-methylpiperidin-4-yl)pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine?
1-[2-methyl-4-(2-methylpiperidin-4-yl)pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine has a molecular weight of 392.43 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(2-methylpiperidin-4-yl)pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine is sourced from PubChem (CID 118378441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).