(E)-1-(4-cyclopropylidene-9-methyl-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine

C26H34N4 — CID 142511151

About (E)-1-(4-cyclopropylidene-9-methyl-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine

(E)-1-(4-cyclopropylidene-9-methyl-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine (PubChem CID 142511151) has the molecular formula C26H34N4 and a molecular weight of 402.59 g/mol. Its IUPAC name is (E)-1-(4-cyclopropylidene-9-methyl-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine.

Molecular Properties

• Compound Name: (E)-1-(4-cyclopropylidene-9-methyl-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine
• PubChem CID: 142511151
• Molecular Formula: C26H34N4
• Molecular Weight: 402.59 g/mol
• Exact Mass: 402.28
• IUPAC Name: (E)-1-(4-cyclopropylidene-9-methyl-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine
• SMILES: C=C(CC)/C(C)=C/C(=N\C)C1=CC(=C2CC2)N2C=C(C3CCNCC3)C=C(C)C2=N1
• InChI: InChI=1S/C26H34N4/c1-6-17(2)18(3)14-23(27-5)24-15-25(21-7-8-21)30-16-22(13-19(4)26(30)29-24)20-9-11-28-12-10-20/h13-16,20,28H,2,6-12H2,1,3-5H3/b18-14+,27-23+
• InChIKey: MNYNHTYYWRROQP-BYFVXGHNSA-N
• XLogP: 5.46
• TPSA: 39.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.59
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-cyclopropylidene-9-methyl-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine?

The IUPAC name of (E)-1-(4-cyclopropylidene-9-methyl-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine (CID 142511151) is (E)-1-(4-cyclopropylidene-9-methyl-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine.

What is the SMILES notation for (E)-1-(4-cyclopropylidene-9-methyl-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine?

The canonical SMILES for (E)-1-(4-cyclopropylidene-9-methyl-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine is C=C(CC)/C(C)=C/C(=N\C)C1=CC(=C2CC2)N2C=C(C3CCNCC3)C=C(C)C2=N1.

What is the InChIKey of (E)-1-(4-cyclopropylidene-9-methyl-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine?

The InChIKey is MNYNHTYYWRROQP-BYFVXGHNSA-N. The full InChI is InChI=1S/C26H34N4/c1-6-17(2)18(3)14-23(27-5)24-15-25(21-7-8-21)30-16-22(13-19(4)26(30)29-24)20-9-11-28-12-10-20/h13-16,20,28H,2,6-12H2,1,3-5H3/b18-14+,27-23+.

What are the key properties of (E)-1-(4-cyclopropylidene-9-methyl-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine?

(E)-1-(4-cyclopropylidene-9-methyl-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine has a molecular weight of 402.59 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-(4-cyclopropylidene-9-methyl-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine is sourced from PubChem (CID 142511151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).