2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol

C30H36N14O — CID 11978245

About 2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 11978245) has the molecular formula C30H36N14O and a molecular weight of 608.72 g/mol. Its IUPAC name is 2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol
• PubChem CID: 11978245
• Molecular Formula: C30H36N14O
• Molecular Weight: 608.72 g/mol
• Exact Mass: 608.32
• IUPAC Name: 2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol
• SMILES: CN(C)c1nc(Nc2ccc(CCNc3nc(NCCO)nc(Nc4cccc(N)c4)n3)cc2)nc(Nc2cccc(N)c2)n1
• InChI: InChI=1S/C30H36N14O/c1-44(2)30-42-28(41-29(43-30)37-24-8-4-6-21(32)18-24)35-22-11-9-19(10-12-22)13-14-33-25-38-26(34-15-16-45)40-27(39-25)36-23-7-3-5-20(31)17-23/h3-12,17-18,45H,13-16,31-32H2,1-2H3,(H2,35,37,41,42,43)(H3,33,34,36,38,39,40)
• InChIKey: ZHACOEAZORRGOW-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 213.00 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	608.72
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol?

The IUPAC name of 2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol (CID 11978245) is 2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol.

What is the SMILES notation for 2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol?

The canonical SMILES for 2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol is CN(C)c1nc(Nc2ccc(CCNc3nc(NCCO)nc(Nc4cccc(N)c4)n3)cc2)nc(Nc2cccc(N)c2)n1.

What is the InChIKey of 2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol?

The InChIKey is ZHACOEAZORRGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N14O/c1-44(2)30-42-28(41-29(43-30)37-24-8-4-6-21(32)18-24)35-22-11-9-19(10-12-22)13-14-33-25-38-26(34-15-16-45)40-27(39-25)36-23-7-3-5-20(31)17-23/h3-12,17-18,45H,13-16,31-32H2,1-2H3,(H2,35,37,41,42,43)(H3,33,34,36,38,39,40).

What are the key properties of 2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol?

2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 608.72 g/mol, XLogP of 3.58, 14 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 11978245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).