N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine

C19H21F3N4O3 — CID 87578602

IUPACN-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine
SMILESCC(=NOc1ncnc(OC2CCNCC2)c1C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H21F3N4O3/c1-12-17(27-15-7-9-23-10-8-15)24-11-25-18(12)29-26-13(2)14-3-5-16(6-4-14)28-19(20,21)22/h3-6,11,15,23H,7-10H2,1-2H3
InChIKeyPALZICIBPPSFRM-UHFFFAOYSA-N
MW410.40 g/mol
LogP3.62
Rot. Bonds6

About N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine

N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine (PubChem CID 87578602) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine.

Molecular Properties

Compound NameN-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine
PubChem CID87578602
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC NameN-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine
SMILESCC(=NOc1ncnc(OC2CCNCC2)c1C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H21F3N4O3/c1-12-17(27-15-7-9-23-10-8-15)24-11-25-18(12)29-26-13(2)14-3-5-16(6-4-14)28-19(20,21)22/h3-6,11,15,23H,7-10H2,1-2H3
InChIKeyPALZICIBPPSFRM-UHFFFAOYSA-N
XLogP3.62
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine?
The IUPAC name of N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine (CID 87578602) is N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine.
What is the SMILES notation for N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine?
The canonical SMILES for N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine is CC(=NOc1ncnc(OC2CCNCC2)c1C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine?
The InChIKey is PALZICIBPPSFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-12-17(27-15-7-9-23-10-8-15)24-11-25-18(12)29-26-13(2)14-3-5-16(6-4-14)28-19(20,21)22/h3-6,11,15,23H,7-10H2,1-2H3.
What are the key properties of N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine?
N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine has a molecular weight of 410.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine is sourced from PubChem (CID 87578602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).