4-N-(2,4-dimethylphenyl)-6-N-phenyl-2-N-(1-phenylethylideneamino)-1,3,5-triazine-2,4,6-triamine

C25H25N7 — CID 78460794

IUPAC4-N-(2,4-dimethylphenyl)-6-N-phenyl-2-N-(1-phenylethylideneamino)-1,3,5-triazine-2,4,6-triamine
SMILESCC(=NNc1nc(Nc2ccccc2)nc(Nc2ccc(C)cc2C)n1)c1ccccc1
InChIInChI=1S/C25H25N7/c1-17-14-15-22(18(2)16-17)27-24-28-23(26-21-12-8-5-9-13-21)29-25(30-24)32-31-19(3)20-10-6-4-7-11-20/h4-16H,1-3H3,(H3,26,27,28,29,30,32)
InChIKeyFQZXLNCNTJQGAG-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.81
Rot. Bonds7

About 4-N-(2,4-dimethylphenyl)-6-N-phenyl-2-N-(1-phenylethylideneamino)-1,3,5-triazine-2,4,6-triamine

4-N-(2,4-dimethylphenyl)-6-N-phenyl-2-N-(1-phenylethylideneamino)-1,3,5-triazine-2,4,6-triamine (PubChem CID 78460794) has the molecular formula C25H25N7 and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-6-N-phenyl-2-N-(1-phenylethylideneamino)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-6-N-phenyl-2-N-(1-phenylethylideneamino)-1,3,5-triazine-2,4,6-triamine
PubChem CID78460794
Molecular FormulaC25H25N7
Molecular Weight423.52 g/mol
Exact Mass423.22
IUPAC Name4-N-(2,4-dimethylphenyl)-6-N-phenyl-2-N-(1-phenylethylideneamino)-1,3,5-triazine-2,4,6-triamine
SMILESCC(=NNc1nc(Nc2ccccc2)nc(Nc2ccc(C)cc2C)n1)c1ccccc1
InChIInChI=1S/C25H25N7/c1-17-14-15-22(18(2)16-17)27-24-28-23(26-21-12-8-5-9-13-21)29-25(30-24)32-31-19(3)20-10-6-4-7-11-20/h4-16H,1-3H3,(H3,26,27,28,29,30,32)
InChIKeyFQZXLNCNTJQGAG-UHFFFAOYSA-N
XLogP5.81
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-N-(2,4-dimethylphenyl)-6-N-phenyl-2-N-(1-phenylethylideneamino)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

4-N-(2,4-dimethylphenyl)-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 46501140
2-[(Z)-[[4-anilino-6-(2,4-dimethylanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135887721
2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 4079235
2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6176095
2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 59798777
6-N-benzyl-2-N-[1-(4-bromophenyl)ethylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 4166719
4-N-(2,4-dimethylphenyl)-2-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 171978873
1-(2,4-dimethylphenyl)-3-(1-phenylethylideneamino)thiourea
CID 3666983
4-[N-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 4082314
4-[(E)-N-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135636683
2-N-(2,4-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 10520798
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-6-N-phenyl-2-N-(1-phenylethylideneamino)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-6-N-phenyl-2-N-(1-phenylethylideneamino)-1,3,5-triazine-2,4,6-triamine (CID 78460794) is 4-N-(2,4-dimethylphenyl)-6-N-phenyl-2-N-(1-phenylethylideneamino)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-6-N-phenyl-2-N-(1-phenylethylideneamino)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-6-N-phenyl-2-N-(1-phenylethylideneamino)-1,3,5-triazine-2,4,6-triamine is CC(=NNc1nc(Nc2ccccc2)nc(Nc2ccc(C)cc2C)n1)c1ccccc1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-6-N-phenyl-2-N-(1-phenylethylideneamino)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FQZXLNCNTJQGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7/c1-17-14-15-22(18(2)16-17)27-24-28-23(26-21-12-8-5-9-13-21)29-25(30-24)32-31-19(3)20-10-6-4-7-11-20/h4-16H,1-3H3,(H3,26,27,28,29,30,32).
What are the key properties of 4-N-(2,4-dimethylphenyl)-6-N-phenyl-2-N-(1-phenylethylideneamino)-1,3,5-triazine-2,4,6-triamine?
4-N-(2,4-dimethylphenyl)-6-N-phenyl-2-N-(1-phenylethylideneamino)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 423.52 g/mol, XLogP of 5.81, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-6-N-phenyl-2-N-(1-phenylethylideneamino)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 78460794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).