4-N-cyclohexyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N,4-N-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine;4-N,4-N-dimethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine

C41H61N21O2 — CID 90254931

About 4-N-cyclohexyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N,4-N-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine;4-N,4-N-dimethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine

4-N-cyclohexyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N,4-N-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine;4-N,4-N-dimethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 90254931) has the molecular formula C41H61N21O2 and a molecular weight of 880.08 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N,4-N-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine;4-N,4-N-dimethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-cyclohexyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N,4-N-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine;4-N,4-N-dimethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 90254931
• Molecular Formula: C41H61N21O2
• Molecular Weight: 880.08 g/mol
• Exact Mass: 879.53
• IUPAC Name: 4-N-cyclohexyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N,4-N-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine;4-N,4-N-dimethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
• SMILES: CN(C)c1nc(N)nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1.CN(C)c1nc(N)nc(N2CCN(c3ccccc3)CC2)n1.CN(C)c1nc(N)nc(NC2CCCCC2)n1
• InChI: InChI=1S/C15H20N8O2.C15H21N7.C11H20N6/c1-20(2)14-17-13(16)18-15(19-14)22-9-7-21(8-10-22)11-3-5-12(6-4-11)23(24)25;1-20(2)14-17-13(16)18-15(19-14)22-10-8-21(9-11-22)12-6-4-3-5-7-12;1-17(2)11-15-9(12)14-10(16-11)13-8-6-4-3-5-7-8/h3-6H,7-10H2,1-2H3,(H2,16,17,18,19);3-7H,8-11H2,1-2H3,(H2,16,17,18,19);8H,3-7H2,1-2H3,(H3,12,13,14,15,16)
• InChIKey: KGYIWUTYTAOLFR-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 271.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.08
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N,4-N-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine;4-N,4-N-dimethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 4-N-cyclohexyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N,4-N-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine;4-N,4-N-dimethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine (CID 90254931) is 4-N-cyclohexyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N,4-N-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine;4-N,4-N-dimethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 4-N-cyclohexyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N,4-N-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine;4-N,4-N-dimethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 4-N-cyclohexyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N,4-N-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine;4-N,4-N-dimethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1.CN(C)c1nc(N)nc(N2CCN(c3ccccc3)CC2)n1.CN(C)c1nc(N)nc(NC2CCCCC2)n1.

What is the InChIKey of 4-N-cyclohexyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N,4-N-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine;4-N,4-N-dimethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?

The InChIKey is KGYIWUTYTAOLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O2.C15H21N7.C11H20N6/c1-20(2)14-17-13(16)18-15(19-14)22-9-7-21(8-10-22)11-3-5-12(6-4-11)23(24)25;1-20(2)14-17-13(16)18-15(19-14)22-10-8-21(9-11-22)12-6-4-3-5-7-12;1-17(2)11-15-9(12)14-10(16-11)13-8-6-4-3-5-7-8/h3-6H,7-10H2,1-2H3,(H2,16,17,18,19);3-7H,8-11H2,1-2H3,(H2,16,17,18,19);8H,3-7H2,1-2H3,(H3,12,13,14,15,16).

What are the key properties of 4-N-cyclohexyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N,4-N-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine;4-N,4-N-dimethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?

4-N-cyclohexyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N,4-N-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine;4-N,4-N-dimethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 880.08 g/mol, XLogP of 2.87, 10 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-cyclohexyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N,4-N-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine;4-N,4-N-dimethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 90254931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).