4-[[4-(4-hydroxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenol

C19H20N6O3 — CID 1069774

IUPAC4-[[4-(4-hydroxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenol
SMILESOc1ccc(Nc2nc(Nc3ccc(O)cc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H20N6O3/c26-15-5-1-13(2-6-15)20-17-22-18(21-14-3-7-16(27)8-4-14)24-19(23-17)25-9-11-28-12-10-25/h1-8,26-27H,9-12H2,(H2,20,21,22,23,24)
InChIKeyHZHFVKUAGLVYKG-UHFFFAOYSA-N
MW380.41 g/mol
LogP2.61
Rot. Bonds5

About 4-[[4-(4-hydroxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenol

4-[[4-(4-hydroxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenol (PubChem CID 1069774) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 4-[[4-(4-hydroxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(4-hydroxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenol
PubChem CID1069774
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name4-[[4-(4-hydroxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenol
SMILESOc1ccc(Nc2nc(Nc3ccc(O)cc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H20N6O3/c26-15-5-1-13(2-6-15)20-17-22-18(21-14-3-7-16(27)8-4-14)24-19(23-17)25-9-11-28-12-10-25/h1-8,26-27H,9-12H2,(H2,20,21,22,23,24)
InChIKeyHZHFVKUAGLVYKG-UHFFFAOYSA-N
XLogP2.61
TPSA115.66 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-hydroxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(4-hydroxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenol (CID 1069774) is 4-[[4-(4-hydroxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(4-hydroxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(4-hydroxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenol is Oc1ccc(Nc2nc(Nc3ccc(O)cc3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[[4-(4-hydroxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenol?
The InChIKey is HZHFVKUAGLVYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c26-15-5-1-13(2-6-15)20-17-22-18(21-14-3-7-16(27)8-4-14)24-19(23-17)25-9-11-28-12-10-25/h1-8,26-27H,9-12H2,(H2,20,21,22,23,24).
What are the key properties of 4-[[4-(4-hydroxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenol?
4-[[4-(4-hydroxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenol has a molecular weight of 380.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-hydroxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenol is sourced from PubChem (CID 1069774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).