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

C30H36N14O2 — CID 45486370

IUPAC2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESNc1cccc(Nc2nc(NCCO)nc(NCCc3ccc(Nc4nc(NCCO)nc(Nc5cccc(N)c5)n4)cc3)n2)c1
InChIInChI=1S/C30H36N14O2/c31-20-3-1-5-23(17-20)37-29-40-25(39-26(41-29)34-13-15-45)33-12-11-19-7-9-22(10-8-19)36-28-42-27(35-14-16-46)43-30(44-28)38-24-6-2-4-21(32)18-24/h1-10,17-18,45-46H,11-16,31-32H2,(H3,33,34,37,39,40,41)(H3,35,36,38,42,43,44)
InChIKeyZZIWOXOZXQXVSP-UHFFFAOYSA-N
MW624.71 g/mol
LogP2.91
Rot. Bonds16

About 2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-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-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 45486370) has the molecular formula C30H36N14O2 and a molecular weight of 624.71 g/mol. Its IUPAC name is 2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID45486370
Molecular FormulaC30H36N14O2
Molecular Weight624.71 g/mol
Exact Mass624.31
IUPAC Name2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESNc1cccc(Nc2nc(NCCO)nc(NCCc3ccc(Nc4nc(NCCO)nc(Nc5cccc(N)c5)n4)cc3)n2)c1
InChIInChI=1S/C30H36N14O2/c31-20-3-1-5-23(17-20)37-29-40-25(39-26(41-29)34-13-15-45)33-12-11-19-7-9-22(10-8-19)36-28-42-27(35-14-16-46)43-30(44-28)38-24-6-2-4-21(32)18-24/h1-10,17-18,45-46H,11-16,31-32H2,(H3,33,34,37,39,40,41)(H3,35,36,38,42,43,44)
InChIKeyZZIWOXOZXQXVSP-UHFFFAOYSA-N
XLogP2.91
TPSA242.02 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500624.71
LogP ≤ 52.91
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-[2-[4-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-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-[2-[4-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-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-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol (CID 45486370) is 2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-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-(2-hydroxyethylamino)-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-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol is Nc1cccc(Nc2nc(NCCO)nc(NCCc3ccc(Nc4nc(NCCO)nc(Nc5cccc(N)c5)n4)cc3)n2)c1.
What is the InChIKey of 2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is ZZIWOXOZXQXVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N14O2/c31-20-3-1-5-23(17-20)37-29-40-25(39-26(41-29)34-13-15-45)33-12-11-19-7-9-22(10-8-19)36-28-42-27(35-14-16-46)43-30(44-28)38-24-6-2-4-21(32)18-24/h1-10,17-18,45-46H,11-16,31-32H2,(H3,33,34,37,39,40,41)(H3,35,36,38,42,43,44).
What are the key properties of 2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-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-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 624.71 g/mol, XLogP of 2.91, 16 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-[2-[4-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 45486370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).