N-(2-aminophenyl)-4-[[[4-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide;6-chloro-2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine

C63H66ClN17O — CID 158055294

About N-(2-aminophenyl)-4-[[[4-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide;6-chloro-2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine

N-(2-aminophenyl)-4-[[[4-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide;6-chloro-2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 158055294) has the molecular formula C63H66ClN17O and a molecular weight of 1112.79 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[[4-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide;6-chloro-2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-4-[[[4-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide;6-chloro-2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 158055294
• Molecular Formula: C63H66ClN17O
• Molecular Weight: 1112.79 g/mol
• Exact Mass: 1111.53
• IUPAC Name: N-(2-aminophenyl)-4-[[[4-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide;6-chloro-2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
• SMILES: Cc1ccc(CNc2nc(Cl)nc(NCCc3ccccc3)n2)cc1.Cc1ccc(CNc2ncnc(NCCc3ccccc3)n2)cc1.Nc1ccccc1NC(=O)c1ccc(CNc2ncnc(NCCc3ccccc3)n2)cc1
• InChI: InChI=1S/C25H25N7O.C19H20ClN5.C19H21N5/c26-21-8-4-5-9-22(21)31-23(33)20-12-10-19(11-13-20)16-28-25-30-17-29-24(32-25)27-15-14-18-6-2-1-3-7-18;1-14-7-9-16(10-8-14)13-22-19-24-17(20)23-18(25-19)21-12-11-15-5-3-2-4-6-15;1-15-7-9-17(10-8-15)13-21-19-23-14-22-18(24-19)20-12-11-16-5-3-2-4-6-16/h1-13,17H,14-16,26H2,(H,31,33)(H2,27,28,29,30,32);2-10H,11-13H2,1H3,(H2,21,22,23,24,25);2-10,14H,11-13H2,1H3,(H2,20,21,22,23,24)
• InChIKey: FJZASHBJJKWUGV-UHFFFAOYSA-N
• XLogP: 11.52
• TPSA: 243.31 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1112.79
LogP ≤ 5	11.52
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

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-phenylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide;6-chloro-2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of N-(2-aminophenyl)-4-[[[4-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide;6-chloro-2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine (CID 158055294) is N-(2-aminophenyl)-4-[[[4-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide;6-chloro-2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for N-(2-aminophenyl)-4-[[[4-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide;6-chloro-2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for N-(2-aminophenyl)-4-[[[4-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide;6-chloro-2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine is Cc1ccc(CNc2nc(Cl)nc(NCCc3ccccc3)n2)cc1.Cc1ccc(CNc2ncnc(NCCc3ccccc3)n2)cc1.Nc1ccccc1NC(=O)c1ccc(CNc2ncnc(NCCc3ccccc3)n2)cc1.

What is the InChIKey of N-(2-aminophenyl)-4-[[[4-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide;6-chloro-2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?

The InChIKey is FJZASHBJJKWUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O.C19H20ClN5.C19H21N5/c26-21-8-4-5-9-22(21)31-23(33)20-12-10-19(11-13-20)16-28-25-30-17-29-24(32-25)27-15-14-18-6-2-1-3-7-18;1-14-7-9-16(10-8-14)13-22-19-24-17(20)23-18(25-19)21-12-11-15-5-3-2-4-6-15;1-15-7-9-17(10-8-15)13-21-19-23-14-22-18(24-19)20-12-11-16-5-3-2-4-6-16/h1-13,17H,14-16,26H2,(H,31,33)(H2,27,28,29,30,32);2-10H,11-13H2,1H3,(H2,21,22,23,24,25);2-10,14H,11-13H2,1H3,(H2,20,21,22,23,24).

What are the key properties of N-(2-aminophenyl)-4-[[[4-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide;6-chloro-2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?

N-(2-aminophenyl)-4-[[[4-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide;6-chloro-2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 1112.79 g/mol, XLogP of 11.52, 23 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-4-[[[4-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide;6-chloro-2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158055294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).