N-(4-acetamido-6-heptyl-1,3,5-triazin-2-yl)acetamide;2-N,4-N-dibutyl-6-heptyl-1,3,5-triazine-2,4-diamine;4,6-diheptyl-1,3,5-triazin-2-amine;6-heptyl-1,3,5-triazine-2,4-diamine;6-[3-(2-methylpropoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-phenyl-1,3,5-triazine-2,4-diamine;6-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine;6-prop-1-ynyl-1,3,5-triazine-2,4-diamine;6-[2-(2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-undecyl-1,3,5-triazine-2,4-diamine

C126H211N51O3 — CID 162050025

About N-(4-acetamido-6-heptyl-1,3,5-triazin-2-yl)acetamide;2-N,4-N-dibutyl-6-heptyl-1,3,5-triazine-2,4-diamine;4,6-diheptyl-1,3,5-triazin-2-amine;6-heptyl-1,3,5-triazine-2,4-diamine;6-[3-(2-methylpropoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-phenyl-1,3,5-triazine-2,4-diamine;6-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine;6-prop-1-ynyl-1,3,5-triazine-2,4-diamine;6-[2-(2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-undecyl-1,3,5-triazine-2,4-diamine

N-(4-acetamido-6-heptyl-1,3,5-triazin-2-yl)acetamide;2-N,4-N-dibutyl-6-heptyl-1,3,5-triazine-2,4-diamine;4,6-diheptyl-1,3,5-triazin-2-amine;6-heptyl-1,3,5-triazine-2,4-diamine;6-[3-(2-methylpropoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-phenyl-1,3,5-triazine-2,4-diamine;6-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine;6-prop-1-ynyl-1,3,5-triazine-2,4-diamine;6-[2-(2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-undecyl-1,3,5-triazine-2,4-diamine (PubChem CID 162050025) has the molecular formula C126H211N51O3 and a molecular weight of 2488.43 g/mol. Its IUPAC name is N-(4-acetamido-6-heptyl-1,3,5-triazin-2-yl)acetamide;2-N,4-N-dibutyl-6-heptyl-1,3,5-triazine-2,4-diamine;4,6-diheptyl-1,3,5-triazin-2-amine;6-heptyl-1,3,5-triazine-2,4-diamine;6-[3-(2-methylpropoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-phenyl-1,3,5-triazine-2,4-diamine;6-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine;6-prop-1-ynyl-1,3,5-triazine-2,4-diamine;6-[2-(2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-undecyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: N-(4-acetamido-6-heptyl-1,3,5-triazin-2-yl)acetamide;2-N,4-N-dibutyl-6-heptyl-1,3,5-triazine-2,4-diamine;4,6-diheptyl-1,3,5-triazin-2-amine;6-heptyl-1,3,5-triazine-2,4-diamine;6-[3-(2-methylpropoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-phenyl-1,3,5-triazine-2,4-diamine;6-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine;6-prop-1-ynyl-1,3,5-triazine-2,4-diamine;6-[2-(2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-undecyl-1,3,5-triazine-2,4-diamine
• PubChem CID: 162050025
• Molecular Formula: C126H211N51O3
• Molecular Weight: 2488.43 g/mol
• Exact Mass: 2486.79
• IUPAC Name: N-(4-acetamido-6-heptyl-1,3,5-triazin-2-yl)acetamide;2-N,4-N-dibutyl-6-heptyl-1,3,5-triazine-2,4-diamine;4,6-diheptyl-1,3,5-triazin-2-amine;6-heptyl-1,3,5-triazine-2,4-diamine;6-[3-(2-methylpropoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-phenyl-1,3,5-triazine-2,4-diamine;6-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine;6-prop-1-ynyl-1,3,5-triazine-2,4-diamine;6-[2-(2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-undecyl-1,3,5-triazine-2,4-diamine
• SMILES: C/C=C/c1nc(N)nc(N)n1.CC#Cc1nc(N)nc(N)n1.CC(C)COc1cccc(-c2nc(N)nc(N)n2)c1.CCCCCCCCCCCc1nc(N)nc(N)n1.CCCCCCCCCCCc1nccn1CCc1nc(N)nc(N)n1.CCCCCCCc1nc(N)nc(CCCCCCC)n1.CCCCCCCc1nc(N)nc(N)n1.CCCCCCCc1nc(NC(C)=O)nc(NC(C)=O)n1.CCCCCCCc1nc(NCCCC)nc(NCCCC)n1.Nc1nc(N)nc(-c2ccccc2)n1
• InChI: InChI=1S/C19H33N7.C18H35N5.C17H32N4.C14H23N5O2.C14H27N5.C13H17N5O.C10H19N5.C9H9N5.C6H9N5.C6H7N5/c1-2-3-4-5-6-7-8-9-10-11-17-22-13-15-26(17)14-12-16-23-18(20)25-19(21)24-16;1-4-7-10-11-12-13-16-21-17(19-14-8-5-2)23-18(22-16)20-15-9-6-3;1-3-5-7-9-11-13-15-19-16(21-17(18)20-15)14-12-10-8-6-4-2;1-4-5-6-7-8-9-12-17-13(15-10(2)20)19-14(18-12)16-11(3)21;1-2-3-4-5-6-7-8-9-10-11-12-17-13(15)19-14(16)18-12;1-8(2)7-19-10-5-3-4-9(6-10)11-16-12(14)18-13(15)17-11;1-2-3-4-5-6-7-8-13-9(11)15-10(12)14-8;10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;2*1-2-3-4-9-5(7)11-6(8)10-4/h13,15H,2-12,14H2,1H3,(H4,20,21,23,24,25);4-15H2,1-3H3,(H2,19,20,21,22,23);3-14H2,1-2H3,(H2,18,19,20,21);4-9H2,1-3H3,(H2,15,16,17,18,19,20,21);2-11H2,1H3,(H4,15,16,17,18,19);3-6,8H,7H2,1-2H3,(H4,14,15,16,17,18);2-7H2,1H3,(H4,11,12,13,14,15);1-5H,(H4,10,11,12,13,14);2-3H,1H3,(H4,7,8,9,10,11);1H3,(H4,7,8,9,10,11)/b;;;;;;;;3-2+
• InChIKey: YYKQTQUAPIVMFU-KHRZIYFGSA-N
• XLogP: 21.71
• TPSA: 886.31 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 52
• Rotatable Bonds: 69
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2488.43
LogP ≤ 5	21.71
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-6-heptyl-1,3,5-triazin-2-yl)acetamide;2-N,4-N-dibutyl-6-heptyl-1,3,5-triazine-2,4-diamine;4,6-diheptyl-1,3,5-triazin-2-amine;6-heptyl-1,3,5-triazine-2,4-diamine;6-[3-(2-methylpropoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-phenyl-1,3,5-triazine-2,4-diamine;6-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine;6-prop-1-ynyl-1,3,5-triazine-2,4-diamine;6-[2-(2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-undecyl-1,3,5-triazine-2,4-diamine?

The IUPAC name of N-(4-acetamido-6-heptyl-1,3,5-triazin-2-yl)acetamide;2-N,4-N-dibutyl-6-heptyl-1,3,5-triazine-2,4-diamine;4,6-diheptyl-1,3,5-triazin-2-amine;6-heptyl-1,3,5-triazine-2,4-diamine;6-[3-(2-methylpropoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-phenyl-1,3,5-triazine-2,4-diamine;6-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine;6-prop-1-ynyl-1,3,5-triazine-2,4-diamine;6-[2-(2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-undecyl-1,3,5-triazine-2,4-diamine (CID 162050025) is N-(4-acetamido-6-heptyl-1,3,5-triazin-2-yl)acetamide;2-N,4-N-dibutyl-6-heptyl-1,3,5-triazine-2,4-diamine;4,6-diheptyl-1,3,5-triazin-2-amine;6-heptyl-1,3,5-triazine-2,4-diamine;6-[3-(2-methylpropoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-phenyl-1,3,5-triazine-2,4-diamine;6-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine;6-prop-1-ynyl-1,3,5-triazine-2,4-diamine;6-[2-(2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-undecyl-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for N-(4-acetamido-6-heptyl-1,3,5-triazin-2-yl)acetamide;2-N,4-N-dibutyl-6-heptyl-1,3,5-triazine-2,4-diamine;4,6-diheptyl-1,3,5-triazin-2-amine;6-heptyl-1,3,5-triazine-2,4-diamine;6-[3-(2-methylpropoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-phenyl-1,3,5-triazine-2,4-diamine;6-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine;6-prop-1-ynyl-1,3,5-triazine-2,4-diamine;6-[2-(2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-undecyl-1,3,5-triazine-2,4-diamine?

The canonical SMILES for N-(4-acetamido-6-heptyl-1,3,5-triazin-2-yl)acetamide;2-N,4-N-dibutyl-6-heptyl-1,3,5-triazine-2,4-diamine;4,6-diheptyl-1,3,5-triazin-2-amine;6-heptyl-1,3,5-triazine-2,4-diamine;6-[3-(2-methylpropoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-phenyl-1,3,5-triazine-2,4-diamine;6-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine;6-prop-1-ynyl-1,3,5-triazine-2,4-diamine;6-[2-(2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-undecyl-1,3,5-triazine-2,4-diamine is C/C=C/c1nc(N)nc(N)n1.CC#Cc1nc(N)nc(N)n1.CC(C)COc1cccc(-c2nc(N)nc(N)n2)c1.CCCCCCCCCCCc1nc(N)nc(N)n1.CCCCCCCCCCCc1nccn1CCc1nc(N)nc(N)n1.CCCCCCCc1nc(N)nc(CCCCCCC)n1.CCCCCCCc1nc(N)nc(N)n1.CCCCCCCc1nc(NC(C)=O)nc(NC(C)=O)n1.CCCCCCCc1nc(NCCCC)nc(NCCCC)n1.Nc1nc(N)nc(-c2ccccc2)n1.

What is the InChIKey of N-(4-acetamido-6-heptyl-1,3,5-triazin-2-yl)acetamide;2-N,4-N-dibutyl-6-heptyl-1,3,5-triazine-2,4-diamine;4,6-diheptyl-1,3,5-triazin-2-amine;6-heptyl-1,3,5-triazine-2,4-diamine;6-[3-(2-methylpropoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-phenyl-1,3,5-triazine-2,4-diamine;6-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine;6-prop-1-ynyl-1,3,5-triazine-2,4-diamine;6-[2-(2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-undecyl-1,3,5-triazine-2,4-diamine?

The InChIKey is YYKQTQUAPIVMFU-KHRZIYFGSA-N. The full InChI is InChI=1S/C19H33N7.C18H35N5.C17H32N4.C14H23N5O2.C14H27N5.C13H17N5O.C10H19N5.C9H9N5.C6H9N5.C6H7N5/c1-2-3-4-5-6-7-8-9-10-11-17-22-13-15-26(17)14-12-16-23-18(20)25-19(21)24-16;1-4-7-10-11-12-13-16-21-17(19-14-8-5-2)23-18(22-16)20-15-9-6-3;1-3-5-7-9-11-13-15-19-16(21-17(18)20-15)14-12-10-8-6-4-2;1-4-5-6-7-8-9-12-17-13(15-10(2)20)19-14(18-12)16-11(3)21;1-2-3-4-5-6-7-8-9-10-11-12-17-13(15)19-14(16)18-12;1-8(2)7-19-10-5-3-4-9(6-10)11-16-12(14)18-13(15)17-11;1-2-3-4-5-6-7-8-13-9(11)15-10(12)14-8;10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;2*1-2-3-4-9-5(7)11-6(8)10-4/h13,15H,2-12,14H2,1H3,(H4,20,21,23,24,25);4-15H2,1-3H3,(H2,19,20,21,22,23);3-14H2,1-2H3,(H2,18,19,20,21);4-9H2,1-3H3,(H2,15,16,17,18,19,20,21);2-11H2,1H3,(H4,15,16,17,18,19);3-6,8H,7H2,1-2H3,(H4,14,15,16,17,18);2-7H2,1H3,(H4,11,12,13,14,15);1-5H,(H4,10,11,12,13,14);2-3H,1H3,(H4,7,8,9,10,11);1H3,(H4,7,8,9,10,11)/b;;;;;;;;3-2+;.

What are the key properties of N-(4-acetamido-6-heptyl-1,3,5-triazin-2-yl)acetamide;2-N,4-N-dibutyl-6-heptyl-1,3,5-triazine-2,4-diamine;4,6-diheptyl-1,3,5-triazin-2-amine;6-heptyl-1,3,5-triazine-2,4-diamine;6-[3-(2-methylpropoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-phenyl-1,3,5-triazine-2,4-diamine;6-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine;6-prop-1-ynyl-1,3,5-triazine-2,4-diamine;6-[2-(2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-undecyl-1,3,5-triazine-2,4-diamine?

N-(4-acetamido-6-heptyl-1,3,5-triazin-2-yl)acetamide;2-N,4-N-dibutyl-6-heptyl-1,3,5-triazine-2,4-diamine;4,6-diheptyl-1,3,5-triazin-2-amine;6-heptyl-1,3,5-triazine-2,4-diamine;6-[3-(2-methylpropoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-phenyl-1,3,5-triazine-2,4-diamine;6-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine;6-prop-1-ynyl-1,3,5-triazine-2,4-diamine;6-[2-(2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-undecyl-1,3,5-triazine-2,4-diamine has a molecular weight of 2488.43 g/mol, XLogP of 21.71, 69 rotatable bonds, 19 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetamido-6-heptyl-1,3,5-triazin-2-yl)acetamide;2-N,4-N-dibutyl-6-heptyl-1,3,5-triazine-2,4-diamine;4,6-diheptyl-1,3,5-triazin-2-amine;6-heptyl-1,3,5-triazine-2,4-diamine;6-[3-(2-methylpropoxy)phenyl]-1,3,5-triazine-2,4-diamine;6-phenyl-1,3,5-triazine-2,4-diamine;6-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine;6-prop-1-ynyl-1,3,5-triazine-2,4-diamine;6-[2-(2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine;6-undecyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 162050025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).