1-(4-chlorophenyl)-6-hexyl-6-methyl-1,3,5-triazine-2,4-diamine

C16H24ClN5 — CID 10245546

IUPAC1-(4-chlorophenyl)-6-hexyl-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN5/c1-3-4-5-6-11-16(2)21-14(18)20-15(19)22(16)13-9-7-12(17)8-10-13/h7-10H,3-6,11H2,1-2H3,(H4,18,19,20,21)
InChIKeyAEMREVUQYDCWAW-UHFFFAOYSA-N
MW321.86 g/mol
LogP3.48
Rot. Bonds6

About 1-(4-chlorophenyl)-6-hexyl-6-methyl-1,3,5-triazine-2,4-diamine

1-(4-chlorophenyl)-6-hexyl-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 10245546) has the molecular formula C16H24ClN5 and a molecular weight of 321.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-hexyl-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-hexyl-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID10245546
Molecular FormulaC16H24ClN5
Molecular Weight321.86 g/mol
Exact Mass321.17
IUPAC Name1-(4-chlorophenyl)-6-hexyl-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN5/c1-3-4-5-6-11-16(2)21-14(18)20-15(19)22(16)13-9-7-12(17)8-10-13/h7-10H,3-6,11H2,1-2H3,(H4,18,19,20,21)
InChIKeyAEMREVUQYDCWAW-UHFFFAOYSA-N
XLogP3.48
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.86
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-hexyl-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-(4-chlorophenyl)-6-hexyl-6-methyl-1,3,5-triazine-2,4-diamine (CID 10245546) is 1-(4-chlorophenyl)-6-hexyl-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-6-hexyl-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-6-hexyl-6-methyl-1,3,5-triazine-2,4-diamine is CCCCCCC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-6-hexyl-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is AEMREVUQYDCWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN5/c1-3-4-5-6-11-16(2)21-14(18)20-15(19)22(16)13-9-7-12(17)8-10-13/h7-10H,3-6,11H2,1-2H3,(H4,18,19,20,21).
What are the key properties of 1-(4-chlorophenyl)-6-hexyl-6-methyl-1,3,5-triazine-2,4-diamine?
1-(4-chlorophenyl)-6-hexyl-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 321.86 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-hexyl-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10245546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).