4-N-(4-methoxyphenyl)-2-N-[(Z)-(2-methylphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C22H25N7O2 — CID 6026351

IUPAC4-N-(4-methoxyphenyl)-2-N-[(Z)-(2-methylphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N/N=C\c3ccccc3C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C22H25N7O2/c1-16-5-3-4-6-17(16)15-23-28-21-25-20(24-18-7-9-19(30-2)10-8-18)26-22(27-21)29-11-13-31-14-12-29/h3-10,15H,11-14H2,1-2H3,(H2,24,25,26,27,28)/b23-15-
InChIKeyPNONXIWOAXIFMH-HAHDFKILSA-N
MW419.49 g/mol
LogP3.21
Rot. Bonds7

About 4-N-(4-methoxyphenyl)-2-N-[(Z)-(2-methylphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

4-N-(4-methoxyphenyl)-2-N-[(Z)-(2-methylphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 6026351) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-2-N-[(Z)-(2-methylphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-2-N-[(Z)-(2-methylphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID6026351
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name4-N-(4-methoxyphenyl)-2-N-[(Z)-(2-methylphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N/N=C\c3ccccc3C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C22H25N7O2/c1-16-5-3-4-6-17(16)15-23-28-21-25-20(24-18-7-9-19(30-2)10-8-18)26-22(27-21)29-11-13-31-14-12-29/h3-10,15H,11-14H2,1-2H3,(H2,24,25,26,27,28)/b23-15-
InChIKeyPNONXIWOAXIFMH-HAHDFKILSA-N
XLogP3.21
TPSA96.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.21
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'}

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Related Compounds

2-N-[(E)-(4-fluorophenyl)methylideneamino]-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171978818
4-N-(4-fluorophenyl)-2-N-[(4-methoxyphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 91962052
2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580364
2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580298
4-N-(4-fluorophenyl)-6-morpholin-4-yl-2-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine
CID 6323143
2-N-(4-chlorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477743
2-bromo-6-methoxy-4-[(E)-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135419567
4-N-(4-fluorophenyl)-6-morpholin-4-yl-2-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 163330789
2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 136843437
4-N-(3-chloro-4-methylphenyl)-6-morpholin-4-yl-2-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 90484480
4-N-(3-chloro-4-methylphenyl)-6-morpholin-4-yl-2-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 91962080
4-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135905107

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-2-N-[(Z)-(2-methylphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)-2-N-[(Z)-(2-methylphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 6026351) is 4-N-(4-methoxyphenyl)-2-N-[(Z)-(2-methylphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-2-N-[(Z)-(2-methylphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)-2-N-[(Z)-(2-methylphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(N/N=C\c3ccccc3C)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-2-N-[(Z)-(2-methylphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is PNONXIWOAXIFMH-HAHDFKILSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-16-5-3-4-6-17(16)15-23-28-21-25-20(24-18-7-9-19(30-2)10-8-18)26-22(27-21)29-11-13-31-14-12-29/h3-10,15H,11-14H2,1-2H3,(H2,24,25,26,27,28)/b23-15-.
What are the key properties of 4-N-(4-methoxyphenyl)-2-N-[(Z)-(2-methylphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
4-N-(4-methoxyphenyl)-2-N-[(Z)-(2-methylphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 419.49 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)-2-N-[(Z)-(2-methylphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6026351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).