N-[(Z)-2-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine

C18H21F3N6O2 — CID 139359158

IUPACN-[(Z)-2-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine
SMILESC=N/C=C(/c1nccc(N2CCOC(COC)C2)n1)N1C=C(C(F)(F)F)N=CC1
InChIInChI=1S/C18H21F3N6O2/c1-22-9-14(26-6-5-23-15(11-26)18(19,20)21)17-24-4-3-16(25-17)27-7-8-29-13(10-27)12-28-2/h3-5,9,11,13H,1,6-8,10,12H2,2H3/b14-9-
InChIKeyRDMIOUMWDMPHED-ZROIWOOFSA-N
MW410.40 g/mol
LogP2.12
Rot. Bonds6

About N-[(Z)-2-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine

N-[(Z)-2-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine (PubChem CID 139359158) has the molecular formula C18H21F3N6O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is N-[(Z)-2-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine
PubChem CID139359158
Molecular FormulaC18H21F3N6O2
Molecular Weight410.40 g/mol
Exact Mass410.17
IUPAC NameN-[(Z)-2-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine
SMILESC=N/C=C(/c1nccc(N2CCOC(COC)C2)n1)N1C=C(C(F)(F)F)N=CC1
InChIInChI=1S/C18H21F3N6O2/c1-22-9-14(26-6-5-23-15(11-26)18(19,20)21)17-24-4-3-16(25-17)27-7-8-29-13(10-27)12-28-2/h3-5,9,11,13H,1,6-8,10,12H2,2H3/b14-9-
InChIKeyRDMIOUMWDMPHED-ZROIWOOFSA-N
XLogP2.12
TPSA75.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[(Z)-2-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine?
The IUPAC name of N-[(Z)-2-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine (CID 139359158) is N-[(Z)-2-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine is C=N/C=C(/c1nccc(N2CCOC(COC)C2)n1)N1C=C(C(F)(F)F)N=CC1.
What is the InChIKey of N-[(Z)-2-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine?
The InChIKey is RDMIOUMWDMPHED-ZROIWOOFSA-N. The full InChI is InChI=1S/C18H21F3N6O2/c1-22-9-14(26-6-5-23-15(11-26)18(19,20)21)17-24-4-3-16(25-17)27-7-8-29-13(10-27)12-28-2/h3-5,9,11,13H,1,6-8,10,12H2,2H3/b14-9-.
What are the key properties of N-[(Z)-2-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine?
N-[(Z)-2-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine has a molecular weight of 410.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine is sourced from PubChem (CID 139359158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).