N-[(E)-benzylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C18H23N7O2 — CID 5340100

IUPACN-[(E)-benzylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESC(=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)\c1ccccc1
InChIInChI=1S/C18H23N7O2/c1-2-4-15(5-3-1)14-19-23-16-20-17(24-6-10-26-11-7-24)22-18(21-16)25-8-12-27-13-9-25/h1-5,14H,6-13H2,(H,20,21,22,23)/b19-14+
InChIKeyQJDBLXONOSEDFY-XMHGGMMESA-N
MW369.43 g/mol
LogP0.99
Rot. Bonds5

About N-[(E)-benzylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-[(E)-benzylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 5340100) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID5340100
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC NameN-[(E)-benzylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESC(=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)\c1ccccc1
InChIInChI=1S/C18H23N7O2/c1-2-4-15(5-3-1)14-19-23-16-20-17(24-6-10-26-11-7-24)22-18(21-16)25-8-12-27-13-9-25/h1-5,14H,6-13H2,(H,20,21,22,23)/b19-14+
InChIKeyQJDBLXONOSEDFY-XMHGGMMESA-N
XLogP0.99
TPSA88.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(E)-benzylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 5340100) is N-[(E)-benzylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(E)-benzylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(E)-benzylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is C(=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)\c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is QJDBLXONOSEDFY-XMHGGMMESA-N. The full InChI is InChI=1S/C18H23N7O2/c1-2-4-15(5-3-1)14-19-23-16-20-17(24-6-10-26-11-7-24)22-18(21-16)25-8-12-27-13-9-25/h1-5,14H,6-13H2,(H,20,21,22,23)/b19-14+.
What are the key properties of N-[(E)-benzylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-[(E)-benzylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 369.43 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 5340100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).