4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C24H27N7O — CID 171981603

IUPAC4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCC(/C=N/Nc1nc(Nc2ccc(C)cc2)nc(N2CCOCC2)n1)=C\c1ccccc1
InChIInChI=1S/C24H27N7O/c1-18-8-10-21(11-9-18)26-22-27-23(29-24(28-22)31-12-14-32-15-13-31)30-25-17-19(2)16-20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3,(H2,26,27,28,29,30)/b19-16+,25-17+
InChIKeyIFHCWCUMKUHESP-ZNRHCXQYSA-N
MW429.53 g/mol
LogP4.26
Rot. Bonds7

About 4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 171981603) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID171981603
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCC(/C=N/Nc1nc(Nc2ccc(C)cc2)nc(N2CCOCC2)n1)=C\c1ccccc1
InChIInChI=1S/C24H27N7O/c1-18-8-10-21(11-9-18)26-22-27-23(29-24(28-22)31-12-14-32-15-13-31)30-25-17-19(2)16-20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3,(H2,26,27,28,29,30)/b19-16+,25-17+
InChIKeyIFHCWCUMKUHESP-ZNRHCXQYSA-N
XLogP4.26
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 6870742
N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 6750186
2-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 2301718
4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
CID 153389162
2-N-(cinnamylideneamino)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 78460795
4-[[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 3667808
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580364
2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 136843437
(2S,3Z)-3-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol
CID 5441896
4-[[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 136914409

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 171981603) is 4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CC(/C=N/Nc1nc(Nc2ccc(C)cc2)nc(N2CCOCC2)n1)=C\c1ccccc1.
What is the InChIKey of 4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is IFHCWCUMKUHESP-ZNRHCXQYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-18-8-10-21(11-9-18)26-22-27-23(29-24(28-22)31-12-14-32-15-13-31)30-25-17-19(2)16-20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3,(H2,26,27,28,29,30)/b19-16+,25-17+.
What are the key properties of 4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 429.53 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171981603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).