4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine;fermium

C21H21FmN8O- — CID 163440864

About 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine;fermium

4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine;fermium (PubChem CID 163440864) has the molecular formula C21H21FmN8O- and a molecular weight of 658.45 g/mol. Its IUPAC name is 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine;fermium.

Molecular Properties

• Compound Name: 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine;fermium
• PubChem CID: 163440864
• Molecular Formula: C21H21FmN8O-
• Molecular Weight: 658.45 g/mol
• Exact Mass: 658.28
• IUPAC Name: 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine;fermium
• SMILES: C[CH-]c1nc2ccccc2n1-c1nc(Nc2ccncc2)nc(N2CCOCC2)n1.[Fm]
• InChI: InChI=1S/C21H21N8O.Fm/c1-2-18-24-16-5-3-4-6-17(16)29(18)21-26-19(23-15-7-9-22-10-8-15)25-20(27-21)28-11-13-30-14-12-28;/h2-10H,11-14H2,1H3,(H,22,23,25,26,27);/q-1
• InChIKey: POLDUYPACMSGLJ-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 93.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	658.45
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine;fermium?

The IUPAC name of 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine;fermium (CID 163440864) is 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine;fermium.

What is the SMILES notation for 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine;fermium?

The canonical SMILES for 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine;fermium is C[CH-]c1nc2ccccc2n1-c1nc(Nc2ccncc2)nc(N2CCOCC2)n1.[Fm].

What is the InChIKey of 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine;fermium?

The InChIKey is POLDUYPACMSGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N8O.Fm/c1-2-18-24-16-5-3-4-6-17(16)29(18)21-26-19(23-15-7-9-22-10-8-15)25-20(27-21)28-11-13-30-14-12-28;/h2-10H,11-14H2,1H3,(H,22,23,25,26,27);/q-1;.

What are the key properties of 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine;fermium?

4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine;fermium has a molecular weight of 658.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine;fermium is sourced from PubChem (CID 163440864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).