2-[[4-(dibutylamino)-6-(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;bis(rutherfordium)

C26H33N5O4Rf2-2 — CID 58059746

About 2-[[4-(dibutylamino)-6-(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;bis(rutherfordium)

2-[[4-(dibutylamino)-6-(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;bis(rutherfordium) (PubChem CID 58059746) has the molecular formula C26H33N5O4Rf2-2 and a molecular weight of 1013.58 g/mol. Its IUPAC name is 2-[[4-(dibutylamino)-6-(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;bis(rutherfordium).

Molecular Properties

• Compound Name: 2-[[4-(dibutylamino)-6-(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;bis(rutherfordium)
• PubChem CID: 58059746
• Molecular Formula: C26H33N5O4Rf2-2
• Molecular Weight: 1013.58 g/mol
• Exact Mass: 1013.50
• IUPAC Name: 2-[[4-(dibutylamino)-6-(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;bis(rutherfordium)
• SMILES: [CH2-]Oc1ccc(O)c(Cc2nc(Nc3cc(O[CH2-])ccc3O)nc(N(CCCC)CCCC)n2)c1.[Rf].[Rf]
• InChI: InChI=1S/C26H33N5O4.2Rf/c1-5-7-13-31(14-8-6-2)26-29-24(16-18-15-19(34-3)9-11-22(18)32)28-25(30-26)27-21-17-20(35-4)10-12-23(21)33;;/h9-12,15,17,32-33H,3-8,13-14,16H2,1-2H3,(H,27,28,29,30);;/q-2
• InChIKey: CABSIGIPXXQYGW-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 112.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1013.58
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dibutylamino)-6-(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;bis(rutherfordium)?

The IUPAC name of 2-[[4-(dibutylamino)-6-(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;bis(rutherfordium) (CID 58059746) is 2-[[4-(dibutylamino)-6-(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;bis(rutherfordium).

What is the SMILES notation for 2-[[4-(dibutylamino)-6-(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;bis(rutherfordium)?

The canonical SMILES for 2-[[4-(dibutylamino)-6-(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;bis(rutherfordium) is [CH2-]Oc1ccc(O)c(Cc2nc(Nc3cc(O[CH2-])ccc3O)nc(N(CCCC)CCCC)n2)c1.[Rf].[Rf].

What is the InChIKey of 2-[[4-(dibutylamino)-6-(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;bis(rutherfordium)?

The InChIKey is CABSIGIPXXQYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4.2Rf/c1-5-7-13-31(14-8-6-2)26-29-24(16-18-15-19(34-3)9-11-22(18)32)28-25(30-26)27-21-17-20(35-4)10-12-23(21)33;;/h9-12,15,17,32-33H,3-8,13-14,16H2,1-2H3,(H,27,28,29,30);;/q-2;;.

What are the key properties of 2-[[4-(dibutylamino)-6-(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;bis(rutherfordium)?

2-[[4-(dibutylamino)-6-(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;bis(rutherfordium) has a molecular weight of 1013.58 g/mol, XLogP of 5.36, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(dibutylamino)-6-(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;bis(rutherfordium) is sourced from PubChem (CID 58059746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).