6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4-diamine

C23H22N8O — CID 11835920

IUPAC6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4-diamine
SMILESC(=N/Nc1nc(Nc2cccc3ccccc23)nc(N2CCOCC2)n1)\c1ccncc1
InChIInChI=1S/C23H22N8O/c1-2-6-19-18(4-1)5-3-7-20(19)26-21-27-22(30-25-16-17-8-10-24-11-9-17)29-23(28-21)31-12-14-32-15-13-31/h1-11,16H,12-15H2,(H2,26,27,28,29,30)/b25-16+
InChIKeyVFKXVMJBMIQJDP-PCLIKHOPSA-N
MW426.48 g/mol
LogP3.45
Rot. Bonds6

About 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4-diamine

6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4-diamine (PubChem CID 11835920) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4-diamine
PubChem CID11835920
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4-diamine
SMILESC(=N/Nc1nc(Nc2cccc3ccccc23)nc(N2CCOCC2)n1)\c1ccncc1
InChIInChI=1S/C23H22N8O/c1-2-6-19-18(4-1)5-3-7-20(19)26-21-27-22(30-25-16-17-8-10-24-11-9-17)29-23(28-21)31-12-14-32-15-13-31/h1-11,16H,12-15H2,(H2,26,27,28,29,30)/b25-16+
InChIKeyVFKXVMJBMIQJDP-PCLIKHOPSA-N
XLogP3.45
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
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'}

Analyze 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
CID 153389162
2-N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-6-morpholin-4-yl-4-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine
CID 171978881
2-methoxy-6-[[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 3314272
6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-[(Z)-3-phenylbut-2-enylidene]amino]-1,3,5-triazine-2,4-diamine
CID 22303535
N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2849563
4-N-phenyl-6-piperidin-1-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
CID 5071726
4-[[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 3667808
2-N-[(Z)-(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-4-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine
CID 6075670
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-N-(2-chlorophenyl)-2-N-[(E)-1H-indol-3-ylmethylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 153389188
2-N-[(E)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 50870674
4-N-(2-methylphenyl)-6-morpholin-4-yl-2-N-[(3-nitrophenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
CID 4218459

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4-diamine (CID 11835920) is 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4-diamine is C(=N/Nc1nc(Nc2cccc3ccccc23)nc(N2CCOCC2)n1)\c1ccncc1.
What is the InChIKey of 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4-diamine?
The InChIKey is VFKXVMJBMIQJDP-PCLIKHOPSA-N. The full InChI is InChI=1S/C23H22N8O/c1-2-6-19-18(4-1)5-3-7-20(19)26-21-27-22(30-25-16-17-8-10-24-11-9-17)29-23(28-21)31-12-14-32-15-13-31/h1-11,16H,12-15H2,(H2,26,27,28,29,30)/b25-16+.
What are the key properties of 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4-diamine?
6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4-diamine has a molecular weight of 426.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-pyridin-4-ylmethylideneamino]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11835920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).