6-(2-chloro-6-fluorophenyl)-4-N-(4-chlorophenyl)-2-N-[(E)-(4-ethylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine

C24H19Cl2FN6 — CID 58065265

IUPAC6-(2-chloro-6-fluorophenyl)-4-N-(4-chlorophenyl)-2-N-[(E)-(4-ethylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
SMILESCCc1ccc(/C=N/Nc2nc(Nc3ccc(Cl)cc3)nc(-c3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C24H19Cl2FN6/c1-2-15-6-8-16(9-7-15)14-28-33-24-31-22(21-19(26)4-3-5-20(21)27)30-23(32-24)29-18-12-10-17(25)11-13-18/h3-14H,2H2,1H3,(H2,29,30,31,32,33)/b28-14+
InChIKeyYEZCOQJCRSFPNF-CCVNUDIWSA-N
MW481.36 g/mol
LogP6.74
Rot. Bonds7

About 6-(2-chloro-6-fluorophenyl)-4-N-(4-chlorophenyl)-2-N-[(E)-(4-ethylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine

6-(2-chloro-6-fluorophenyl)-4-N-(4-chlorophenyl)-2-N-[(E)-(4-ethylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine (PubChem CID 58065265) has the molecular formula C24H19Cl2FN6 and a molecular weight of 481.36 g/mol. Its IUPAC name is 6-(2-chloro-6-fluorophenyl)-4-N-(4-chlorophenyl)-2-N-[(E)-(4-ethylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-chloro-6-fluorophenyl)-4-N-(4-chlorophenyl)-2-N-[(E)-(4-ethylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
PubChem CID58065265
Molecular FormulaC24H19Cl2FN6
Molecular Weight481.36 g/mol
Exact Mass480.10
IUPAC Name6-(2-chloro-6-fluorophenyl)-4-N-(4-chlorophenyl)-2-N-[(E)-(4-ethylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
SMILESCCc1ccc(/C=N/Nc2nc(Nc3ccc(Cl)cc3)nc(-c3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C24H19Cl2FN6/c1-2-15-6-8-16(9-7-15)14-28-33-24-31-22(21-19(26)4-3-5-20(21)27)30-23(32-24)29-18-12-10-17(25)11-13-18/h3-14H,2H2,1H3,(H2,29,30,31,32,33)/b28-14+
InChIKeyYEZCOQJCRSFPNF-CCVNUDIWSA-N
XLogP6.74
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.36
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(3-chlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3092796
2-N-[(2-chlorophenyl)methylideneamino]-6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 44522056
2-N-(4-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 14867469
2-N-[(E)-(2-chlorophenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 5340415
6-[(2E)-2-(2-chlorobenzylidene)hydrazinyl]-N'-(4-fluorophenyl)-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 9599843
6-chloro-4-N-(4-chlorophenyl)-2-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-2,4-diamine
CID 57651381
4-N-(4-chlorophenyl)-6-(2,6-difluorophenyl)-2-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
CID 58065235
6-(2-chloro-6-fluorophenyl)-4-N-(6-chloro-3-pyridinyl)-2-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
CID 58065238
6-(2-chloro-6-fluorophenyl)-4-N-(4-methylphenyl)-2-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
CID 58065241
6-(2-chloro-6-fluorophenyl)-4-N-(2-chloro-4-pyridinyl)-2-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
CID 58065242
6-(2-chloro-6-fluorophenyl)-4-N-(5-chloro-2-pyridinyl)-2-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
CID 58065243
6-(2-chloro-6-fluorophenyl)-4-N-(3,4-dichlorophenyl)-2-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
CID 58065245

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-fluorophenyl)-4-N-(4-chlorophenyl)-2-N-[(E)-(4-ethylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-chloro-6-fluorophenyl)-4-N-(4-chlorophenyl)-2-N-[(E)-(4-ethylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine (CID 58065265) is 6-(2-chloro-6-fluorophenyl)-4-N-(4-chlorophenyl)-2-N-[(E)-(4-ethylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-chloro-6-fluorophenyl)-4-N-(4-chlorophenyl)-2-N-[(E)-(4-ethylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-chloro-6-fluorophenyl)-4-N-(4-chlorophenyl)-2-N-[(E)-(4-ethylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine is CCc1ccc(/C=N/Nc2nc(Nc3ccc(Cl)cc3)nc(-c3c(F)cccc3Cl)n2)cc1.
What is the InChIKey of 6-(2-chloro-6-fluorophenyl)-4-N-(4-chlorophenyl)-2-N-[(E)-(4-ethylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine?
The InChIKey is YEZCOQJCRSFPNF-CCVNUDIWSA-N. The full InChI is InChI=1S/C24H19Cl2FN6/c1-2-15-6-8-16(9-7-15)14-28-33-24-31-22(21-19(26)4-3-5-20(21)27)30-23(32-24)29-18-12-10-17(25)11-13-18/h3-14H,2H2,1H3,(H2,29,30,31,32,33)/b28-14+.
What are the key properties of 6-(2-chloro-6-fluorophenyl)-4-N-(4-chlorophenyl)-2-N-[(E)-(4-ethylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine?
6-(2-chloro-6-fluorophenyl)-4-N-(4-chlorophenyl)-2-N-[(E)-(4-ethylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine has a molecular weight of 481.36 g/mol, XLogP of 6.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-fluorophenyl)-4-N-(4-chlorophenyl)-2-N-[(E)-(4-ethylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58065265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).