6-[2-(4-chlorophenyl)ethylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-[(4-chlorophenyl)methylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;ethane;methane;6-N,6-N,4-trimethyl-2-N-(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine

C43H67Cl2N15 — CID 158326867

About 6-[2-(4-chlorophenyl)ethylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-[(4-chlorophenyl)methylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;ethane;methane;6-N,6-N,4-trimethyl-2-N-(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine

6-[2-(4-chlorophenyl)ethylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-[(4-chlorophenyl)methylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;ethane;methane;6-N,6-N,4-trimethyl-2-N-(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 158326867) has the molecular formula C43H67Cl2N15 and a molecular weight of 865.02 g/mol. Its IUPAC name is 6-[2-(4-chlorophenyl)ethylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-[(4-chlorophenyl)methylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;ethane;methane;6-N,6-N,4-trimethyl-2-N-(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

• Compound Name: 6-[2-(4-chlorophenyl)ethylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-[(4-chlorophenyl)methylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;ethane;methane;6-N,6-N,4-trimethyl-2-N-(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
• PubChem CID: 158326867
• Molecular Formula: C43H67Cl2N15
• Molecular Weight: 865.02 g/mol
• Exact Mass: 863.51
• IUPAC Name: 6-[2-(4-chlorophenyl)ethylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-[(4-chlorophenyl)methylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;ethane;methane;6-N,6-N,4-trimethyl-2-N-(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
• SMILES: C.CC.CC1N=C(N(C)C)N/C(=N/CCc2ccc(Cl)cc2)N1.CC1N=C(N(C)C)N/C(=N\Cc2ccc(Cl)cc2)N1.Cc1cccc(NC2=NC(C)N=C(N(C)C)N2)c1
• InChI: InChI=1S/C14H20ClN5.C13H18ClN5.C13H19N5.C2H6.CH4/c1-10-17-13(19-14(18-10)20(2)3)16-9-8-11-4-6-12(15)7-5-11;1-9-16-12(18-13(17-9)19(2)3)15-8-10-4-6-11(14)7-5-10;1-9-6-5-7-11(8-9)16-12-14-10(2)15-13(17-12)18(3)4;1-2;/h4-7,10H,8-9H2,1-3H3,(H2,16,17,18,19);4-7,9H,8H2,1-3H3,(H2,15,16,17,18);5-8,10H,1-4H3,(H2,14,15,16,17);1-2H3;1H4
• InChIKey: GPNBFNUDRPVUGS-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 156.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	865.02
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-chlorophenyl)ethylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-[(4-chlorophenyl)methylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;ethane;methane;6-N,6-N,4-trimethyl-2-N-(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine?

The IUPAC name of 6-[2-(4-chlorophenyl)ethylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-[(4-chlorophenyl)methylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;ethane;methane;6-N,6-N,4-trimethyl-2-N-(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 158326867) is 6-[2-(4-chlorophenyl)ethylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-[(4-chlorophenyl)methylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;ethane;methane;6-N,6-N,4-trimethyl-2-N-(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine.

What is the SMILES notation for 6-[2-(4-chlorophenyl)ethylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-[(4-chlorophenyl)methylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;ethane;methane;6-N,6-N,4-trimethyl-2-N-(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine?

The canonical SMILES for 6-[2-(4-chlorophenyl)ethylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-[(4-chlorophenyl)methylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;ethane;methane;6-N,6-N,4-trimethyl-2-N-(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine is C.CC.CC1N=C(N(C)C)N/C(=N/CCc2ccc(Cl)cc2)N1.CC1N=C(N(C)C)N/C(=N\Cc2ccc(Cl)cc2)N1.Cc1cccc(NC2=NC(C)N=C(N(C)C)N2)c1.

What is the InChIKey of 6-[2-(4-chlorophenyl)ethylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-[(4-chlorophenyl)methylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;ethane;methane;6-N,6-N,4-trimethyl-2-N-(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine?

The InChIKey is GPNBFNUDRPVUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5.C13H18ClN5.C13H19N5.C2H6.CH4/c1-10-17-13(19-14(18-10)20(2)3)16-9-8-11-4-6-12(15)7-5-11;1-9-16-12(18-13(17-9)19(2)3)15-8-10-4-6-11(14)7-5-10;1-9-6-5-7-11(8-9)16-12-14-10(2)15-13(17-12)18(3)4;1-2;/h4-7,10H,8-9H2,1-3H3,(H2,16,17,18,19);4-7,9H,8H2,1-3H3,(H2,15,16,17,18);5-8,10H,1-4H3,(H2,14,15,16,17);1-2H3;1H4.

What are the key properties of 6-[2-(4-chlorophenyl)ethylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-[(4-chlorophenyl)methylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;ethane;methane;6-N,6-N,4-trimethyl-2-N-(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine?

6-[2-(4-chlorophenyl)ethylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-[(4-chlorophenyl)methylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;ethane;methane;6-N,6-N,4-trimethyl-2-N-(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 865.02 g/mol, XLogP of 6.64, 6 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(4-chlorophenyl)ethylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-[(4-chlorophenyl)methylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;ethane;methane;6-N,6-N,4-trimethyl-2-N-(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 158326867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).