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

C18H23N7O2 — CID 2849563

IUPACN-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESC(=NNc1nc(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)
InChIKeyQJDBLXONOSEDFY-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.99
Rot. Bonds5

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

N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 2849563) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID2849563
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC NameN-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESC(=NNc1nc(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)
InChIKeyQJDBLXONOSEDFY-UHFFFAOYSA-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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Related Compounds

4-[(2E)-2-benzylidenehydrazinyl]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 110178614
4,6-dimorpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine
CID 3096178
4-N-benzyl-6-morpholin-4-yl-2-N-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 91962061
4-[[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 3667808
4-N-benzyl-2-N-[(E)-(4-iodophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 56697446
N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 6750186
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 6870742
4-[[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzonitrile
CID 5196485
[3-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] benzoate
CID 5334072
2-N-[[4-(dimethylamino)phenyl]methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 4289951
N-[(3,5-dimethoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2848777
N-[(Z)-(2,4-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 6081116

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 2849563) is N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is C(=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccccc1.
What is the InChIKey of N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is QJDBLXONOSEDFY-UHFFFAOYSA-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).
What are the key properties of N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-(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-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2849563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).