N-[[7-(2,6-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine

C25H27N7O — CID 158646466

About N-[[7-(2,6-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine

N-[[7-(2,6-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine (PubChem CID 158646466) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[[7-(2,6-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine.

Molecular Properties

• Compound Name: N-[[7-(2,6-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine
• PubChem CID: 158646466
• Molecular Formula: C25H27N7O
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.23
• IUPAC Name: N-[[7-(2,6-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine
• SMILES: Cc1cccc(/C=N/Cc2cc(N3CC(C)OC(C)C3)n3nc(-c4ccncc4)nc3n2)c1
• InChI: InChI=1S/C25H27N7O/c1-17-5-4-6-20(11-17)13-27-14-22-12-23(31-15-18(2)33-19(3)16-31)32-25(28-22)29-24(30-32)21-7-9-26-10-8-21/h4-13,18-19H,14-16H2,1-3H3/b27-13+
• InChIKey: YUADJWCTPHZPSK-UVHMKAGCSA-N
• XLogP: 3.73
• TPSA: 80.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	3.73
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-[[7-(2,6-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine?

The IUPAC name of N-[[7-(2,6-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine (CID 158646466) is N-[[7-(2,6-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine.

What is the SMILES notation for N-[[7-(2,6-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine?

The canonical SMILES for N-[[7-(2,6-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine is Cc1cccc(/C=N/Cc2cc(N3CC(C)OC(C)C3)n3nc(-c4ccncc4)nc3n2)c1.

What is the InChIKey of N-[[7-(2,6-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine?

The InChIKey is YUADJWCTPHZPSK-UVHMKAGCSA-N. The full InChI is InChI=1S/C25H27N7O/c1-17-5-4-6-20(11-17)13-27-14-22-12-23(31-15-18(2)33-19(3)16-31)32-25(28-22)29-24(30-32)21-7-9-26-10-8-21/h4-13,18-19H,14-16H2,1-3H3/b27-13+.

What are the key properties of N-[[7-(2,6-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine?

N-[[7-(2,6-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine has a molecular weight of 441.54 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-(2,6-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine is sourced from PubChem (CID 158646466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).