(5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol

C26H38N6O3 — CID 136638391

About (5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol

(5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol (PubChem CID 136638391) has the molecular formula C26H38N6O3 and a molecular weight of 482.63 g/mol. Its IUPAC name is (5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol.

Molecular Properties

• Compound Name: (5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol
• PubChem CID: 136638391
• Molecular Formula: C26H38N6O3
• Molecular Weight: 482.63 g/mol
• Exact Mass: 482.30
• IUPAC Name: (5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol
• SMILES: CCCN(CCC)c1cc(N/N=C2\CCCc3cc(O)ccc32)nc(OCCN2CCOCC2)n1
• InChI: InChI=1S/C26H38N6O3/c1-3-10-32(11-4-2)25-19-24(27-26(28-25)35-17-14-31-12-15-34-16-13-31)30-29-23-7-5-6-20-18-21(33)8-9-22(20)23/h8-9,18-19,33H,3-7,10-17H2,1-2H3,(H,27,28,30)/b29-23+
• InChIKey: QJJPBDCTAKLVLX-BYNJWEBRSA-N
• XLogP: 3.67
• TPSA: 95.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.63
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol?

The IUPAC name of (5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol (CID 136638391) is (5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol.

What is the SMILES notation for (5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol?

The canonical SMILES for (5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol is CCCN(CCC)c1cc(N/N=C2\CCCc3cc(O)ccc32)nc(OCCN2CCOCC2)n1.

What is the InChIKey of (5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol?

The InChIKey is QJJPBDCTAKLVLX-BYNJWEBRSA-N. The full InChI is InChI=1S/C26H38N6O3/c1-3-10-32(11-4-2)25-19-24(27-26(28-25)35-17-14-31-12-15-34-16-13-31)30-29-23-7-5-6-20-18-21(33)8-9-22(20)23/h8-9,18-19,33H,3-7,10-17H2,1-2H3,(H,27,28,30)/b29-23+.

What are the key properties of (5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol?

(5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol has a molecular weight of 482.63 g/mol, XLogP of 3.67, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol is sourced from PubChem (CID 136638391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).