N-(2-aminophenyl)-4-[[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]methyl]benzamide

C30H32N8O2 — CID 22478822

About N-(2-aminophenyl)-4-[[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]methyl]benzamide

N-(2-aminophenyl)-4-[[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]methyl]benzamide (PubChem CID 22478822) has the molecular formula C30H32N8O2 and a molecular weight of 536.64 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]methyl]benzamide.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-4-[[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]methyl]benzamide
• PubChem CID: 22478822
• Molecular Formula: C30H32N8O2
• Molecular Weight: 536.64 g/mol
• Exact Mass: 536.26
• IUPAC Name: N-(2-aminophenyl)-4-[[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]methyl]benzamide
• SMILES: Nc1ccccc1NC(=O)c1ccc(CNc2nc(NC3Cc4ccccc4C3)nc(N3CCOCC3)n2)cc1
• InChI: InChI=1S/C30H32N8O2/c31-25-7-3-4-8-26(25)34-27(39)21-11-9-20(10-12-21)19-32-28-35-29(37-30(36-28)38-13-15-40-16-14-38)33-24-17-22-5-1-2-6-23(22)18-24/h1-12,24H,13-19,31H2,(H,34,39)(H2,32,33,35,36,37)
• InChIKey: MEUFXVQREXAIML-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 130.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.64
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]methyl]benzamide?

The IUPAC name of N-(2-aminophenyl)-4-[[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]methyl]benzamide (CID 22478822) is N-(2-aminophenyl)-4-[[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]methyl]benzamide.

What is the SMILES notation for N-(2-aminophenyl)-4-[[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]methyl]benzamide?

The canonical SMILES for N-(2-aminophenyl)-4-[[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CNc2nc(NC3Cc4ccccc4C3)nc(N3CCOCC3)n2)cc1.

What is the InChIKey of N-(2-aminophenyl)-4-[[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]methyl]benzamide?

The InChIKey is MEUFXVQREXAIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O2/c31-25-7-3-4-8-26(25)34-27(39)21-11-9-20(10-12-21)19-32-28-35-29(37-30(36-28)38-13-15-40-16-14-38)33-24-17-22-5-1-2-6-23(22)18-24/h1-12,24H,13-19,31H2,(H,34,39)(H2,32,33,35,36,37).

What are the key properties of N-(2-aminophenyl)-4-[[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]methyl]benzamide?

N-(2-aminophenyl)-4-[[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]methyl]benzamide has a molecular weight of 536.64 g/mol, XLogP of 3.73, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-4-[[[4-(2,3-dihydro-1H-inden-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 22478822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).