4-(2-chloro-6-fluorophenyl)-6-(2,2-dimethylhydrazinyl)-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazin-2-amine

C19H19ClFN7 — CID 58065290

IUPAC4-(2-chloro-6-fluorophenyl)-6-(2,2-dimethylhydrazinyl)-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazin-2-amine
SMILESCc1ccc(/C=N/Nc2nc(NN(C)C)nc(-c3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C19H19ClFN7/c1-12-7-9-13(10-8-12)11-22-26-18-23-17(24-19(25-18)27-28(2)3)16-14(20)5-4-6-15(16)21/h4-11H,1-3H3,(H2,23,24,25,26,27)/b22-11+
InChIKeyRHRJCBNQOLNTDK-SSDVNMTOSA-N
MW399.86 g/mol
LogP3.97
Rot. Bonds6

About 4-(2-chloro-6-fluorophenyl)-6-(2,2-dimethylhydrazinyl)-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazin-2-amine

4-(2-chloro-6-fluorophenyl)-6-(2,2-dimethylhydrazinyl)-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazin-2-amine (PubChem CID 58065290) has the molecular formula C19H19ClFN7 and a molecular weight of 399.86 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-6-(2,2-dimethylhydrazinyl)-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-6-(2,2-dimethylhydrazinyl)-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazin-2-amine
PubChem CID58065290
Molecular FormulaC19H19ClFN7
Molecular Weight399.86 g/mol
Exact Mass399.14
IUPAC Name4-(2-chloro-6-fluorophenyl)-6-(2,2-dimethylhydrazinyl)-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazin-2-amine
SMILESCc1ccc(/C=N/Nc2nc(NN(C)C)nc(-c3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C19H19ClFN7/c1-12-7-9-13(10-8-12)11-22-26-18-23-17(24-19(25-18)27-28(2)3)16-14(20)5-4-6-15(16)21/h4-11H,1-3H3,(H2,23,24,25,26,27)/b22-11+
InChIKeyRHRJCBNQOLNTDK-SSDVNMTOSA-N
XLogP3.97
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 53.97
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-6-(2,2-dimethylhydrazinyl)-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-6-(2,2-dimethylhydrazinyl)-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazin-2-amine (CID 58065290) is 4-(2-chloro-6-fluorophenyl)-6-(2,2-dimethylhydrazinyl)-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-6-(2,2-dimethylhydrazinyl)-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-6-(2,2-dimethylhydrazinyl)-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazin-2-amine is Cc1ccc(/C=N/Nc2nc(NN(C)C)nc(-c3c(F)cccc3Cl)n2)cc1.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-6-(2,2-dimethylhydrazinyl)-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazin-2-amine?
The InChIKey is RHRJCBNQOLNTDK-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H19ClFN7/c1-12-7-9-13(10-8-12)11-22-26-18-23-17(24-19(25-18)27-28(2)3)16-14(20)5-4-6-15(16)21/h4-11H,1-3H3,(H2,23,24,25,26,27)/b22-11+.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-6-(2,2-dimethylhydrazinyl)-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazin-2-amine?
4-(2-chloro-6-fluorophenyl)-6-(2,2-dimethylhydrazinyl)-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazin-2-amine has a molecular weight of 399.86 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-6-(2,2-dimethylhydrazinyl)-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58065290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).