N-[(Z)-1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[6-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2,3-dihydro-1,4-oxazin-5-yl]ethenyl]methanimine

C28H29F3N6O2 — CID 175613291

About N-[(Z)-1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[6-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2,3-dihydro-1,4-oxazin-5-yl]ethenyl]methanimine

N-[(Z)-1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[6-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2,3-dihydro-1,4-oxazin-5-yl]ethenyl]methanimine (PubChem CID 175613291) has the molecular formula C28H29F3N6O2 and a molecular weight of 538.57 g/mol. Its IUPAC name is N-[(Z)-1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[6-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2,3-dihydro-1,4-oxazin-5-yl]ethenyl]methanimine.

Molecular Properties

• Compound Name: N-[(Z)-1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[6-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2,3-dihydro-1,4-oxazin-5-yl]ethenyl]methanimine
• PubChem CID: 175613291
• Molecular Formula: C28H29F3N6O2
• Molecular Weight: 538.57 g/mol
• Exact Mass: 538.23
• IUPAC Name: N-[(Z)-1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[6-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2,3-dihydro-1,4-oxazin-5-yl]ethenyl]methanimine
• SMILES: C=N/C(=C\C1=C(C)OCCN1Cc1ccc(-c2nc(C(F)(F)F)cn2C)cc1)c1c(OC)ncnc1C1CC1
• InChI: InChI=1S/C28H29F3N6O2/c1-17-22(13-21(32-2)24-25(19-9-10-19)33-16-34-27(24)38-4)37(11-12-39-17)14-18-5-7-20(8-6-18)26-35-23(15-36(26)3)28(29,30)31/h5-8,13,15-16,19H,2,9-12,14H2,1,3-4H3/b21-13-
• InChIKey: UVXOPRCHSCARRJ-BKUYFWCQSA-N
• XLogP: 5.59
• TPSA: 77.66 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.57
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[6-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2,3-dihydro-1,4-oxazin-5-yl]ethenyl]methanimine?

The IUPAC name of N-[(Z)-1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[6-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2,3-dihydro-1,4-oxazin-5-yl]ethenyl]methanimine (CID 175613291) is N-[(Z)-1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[6-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2,3-dihydro-1,4-oxazin-5-yl]ethenyl]methanimine.

What is the SMILES notation for N-[(Z)-1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[6-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2,3-dihydro-1,4-oxazin-5-yl]ethenyl]methanimine?

The canonical SMILES for N-[(Z)-1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[6-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2,3-dihydro-1,4-oxazin-5-yl]ethenyl]methanimine is C=N/C(=C\C1=C(C)OCCN1Cc1ccc(-c2nc(C(F)(F)F)cn2C)cc1)c1c(OC)ncnc1C1CC1.

What is the InChIKey of N-[(Z)-1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[6-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2,3-dihydro-1,4-oxazin-5-yl]ethenyl]methanimine?

The InChIKey is UVXOPRCHSCARRJ-BKUYFWCQSA-N. The full InChI is InChI=1S/C28H29F3N6O2/c1-17-22(13-21(32-2)24-25(19-9-10-19)33-16-34-27(24)38-4)37(11-12-39-17)14-18-5-7-20(8-6-18)26-35-23(15-36(26)3)28(29,30)31/h5-8,13,15-16,19H,2,9-12,14H2,1,3-4H3/b21-13-.

What are the key properties of N-[(Z)-1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[6-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2,3-dihydro-1,4-oxazin-5-yl]ethenyl]methanimine?

N-[(Z)-1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[6-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2,3-dihydro-1,4-oxazin-5-yl]ethenyl]methanimine has a molecular weight of 538.57 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[6-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2,3-dihydro-1,4-oxazin-5-yl]ethenyl]methanimine is sourced from PubChem (CID 175613291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).