2-[[4-(3-aminoanilino)-6-[3-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanol

C28H32N14O2 — CID 11410813

IUPAC2-[[4-(3-aminoanilino)-6-[3-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESNc1cccc(Nc2nc(NCCO)nc(Nc3cccc(Nc4nc(NCCO)nc(Nc5cccc(N)c5)n4)c3)n2)c1
InChIInChI=1S/C28H32N14O2/c29-17-4-1-6-19(14-17)33-25-37-23(31-10-12-43)39-27(41-25)35-21-8-3-9-22(16-21)36-28-40-24(32-11-13-44)38-26(42-28)34-20-7-2-5-18(30)15-20/h1-9,14-16,43-44H,10-13,29-30H2,(H3,31,33,35,37,39,41)(H3,32,34,36,38,40,42)
InChIKeyQVQYBHVDDOCMMG-UHFFFAOYSA-N
MW596.66 g/mol
LogP3.00
Rot. Bonds14

About 2-[[4-(3-aminoanilino)-6-[3-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-(3-aminoanilino)-6-[3-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 11410813) has the molecular formula C28H32N14O2 and a molecular weight of 596.66 g/mol. Its IUPAC name is 2-[[4-(3-aminoanilino)-6-[3-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(3-aminoanilino)-6-[3-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID11410813
Molecular FormulaC28H32N14O2
Molecular Weight596.66 g/mol
Exact Mass596.28
IUPAC Name2-[[4-(3-aminoanilino)-6-[3-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESNc1cccc(Nc2nc(NCCO)nc(Nc3cccc(Nc4nc(NCCO)nc(Nc5cccc(N)c5)n4)c3)n2)c1
InChIInChI=1S/C28H32N14O2/c29-17-4-1-6-19(14-17)33-25-37-23(31-10-12-43)39-27(41-25)35-21-8-3-9-22(16-21)36-28-40-24(32-11-13-44)38-26(42-28)34-20-7-2-5-18(30)15-20/h1-9,14-16,43-44H,10-13,29-30H2,(H3,31,33,35,37,39,41)(H3,32,34,36,38,40,42)
InChIKeyQVQYBHVDDOCMMG-UHFFFAOYSA-N
XLogP3.00
TPSA242.02 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500596.66
LogP ≤ 53.00
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[[4-(3-aminoanilino)-6-[3-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-aminoanilino)-6-[3-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(3-aminoanilino)-6-[3-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanol (CID 11410813) is 2-[[4-(3-aminoanilino)-6-[3-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(3-aminoanilino)-6-[3-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(3-aminoanilino)-6-[3-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanol is Nc1cccc(Nc2nc(NCCO)nc(Nc3cccc(Nc4nc(NCCO)nc(Nc5cccc(N)c5)n4)c3)n2)c1.
What is the InChIKey of 2-[[4-(3-aminoanilino)-6-[3-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is QVQYBHVDDOCMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N14O2/c29-17-4-1-6-19(14-17)33-25-37-23(31-10-12-43)39-27(41-25)35-21-8-3-9-22(16-21)36-28-40-24(32-11-13-44)38-26(42-28)34-20-7-2-5-18(30)15-20/h1-9,14-16,43-44H,10-13,29-30H2,(H3,31,33,35,37,39,41)(H3,32,34,36,38,40,42).
What are the key properties of 2-[[4-(3-aminoanilino)-6-[3-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(3-aminoanilino)-6-[3-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 596.66 g/mol, XLogP of 3.00, 14 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-aminoanilino)-6-[3-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 11410813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).