2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-(1,3-benzodioxol-4-yl)-1,3,5-triazine-2,4,6-triamine

C82H104N36O12 — CID 158717927

About 2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-(1,3-benzodioxol-4-yl)-1,3,5-triazine-2,4,6-triamine

2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-(1,3-benzodioxol-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 158717927) has the molecular formula C82H104N36O12 and a molecular weight of 1785.97 g/mol. Its IUPAC name is 2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-(1,3-benzodioxol-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-(1,3-benzodioxol-4-yl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 158717927
• Molecular Formula: C82H104N36O12
• Molecular Weight: 1785.97 g/mol
• Exact Mass: 1784.86
• IUPAC Name: 2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-(1,3-benzodioxol-4-yl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CN(C)c1nc(N)nc(NCCc2ccc3c(c2)OCO3)n1.CN(C)c1nc(NCCc2ccc3c(c2)OCO3)nc(N(C)C)n1.CNc1nc(N)nc(N(C)CCc2ccc3c(c2)OCO3)n1.CNc1nc(N)nc(NCCc2ccc3c(c2)OCO3)n1.CNc1nc(NCCc2ccc3c(c2)OCO3)nc(N(C)C)n1.Nc1nc(N)nc(Nc2cccc3c2OCO3)n1
• InChI: InChI=1S/C16H22N6O2.C15H20N6O2.2C14H18N6O2.C13H16N6O2.C10H10N6O2/c1-21(2)15-18-14(19-16(20-15)22(3)4)17-8-7-11-5-6-12-13(9-11)24-10-23-12;1-16-13-18-14(20-15(19-13)21(2)3)17-7-6-10-4-5-11-12(8-10)23-9-22-11;1-20(2)14-18-12(15)17-13(19-14)16-6-5-9-3-4-10-11(7-9)22-8-21-10;1-16-13-17-12(15)18-14(19-13)20(2)6-5-9-3-4-10-11(7-9)22-8-21-10;1-15-12-17-11(14)18-13(19-12)16-5-4-8-2-3-9-10(6-8)21-7-20-9;11-8-14-9(12)16-10(15-8)13-5-2-1-3-6-7(5)18-4-17-6/h5-6,9H,7-8,10H2,1-4H3,(H,17,18,19,20);4-5,8H,6-7,9H2,1-3H3,(H2,16,17,18,19,20);2*3-4,7H,5-6,8H2,1-2H3,(H3,15,16,17,18,19);2-3,6H,4-5,7H2,1H3,(H4,14,15,16,17,18,19);1-3H,4H2,(H5,11,12,13,14,15,16)
• InChIKey: IJNZSMKFUFKQSR-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 585.32 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 48
• Rotatable Bonds: 29
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1785.97
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-(1,3-benzodioxol-4-yl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-(1,3-benzodioxol-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 158717927) is 2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-(1,3-benzodioxol-4-yl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-(1,3-benzodioxol-4-yl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-(1,3-benzodioxol-4-yl)-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(NCCc2ccc3c(c2)OCO3)n1.CN(C)c1nc(NCCc2ccc3c(c2)OCO3)nc(N(C)C)n1.CNc1nc(N)nc(N(C)CCc2ccc3c(c2)OCO3)n1.CNc1nc(N)nc(NCCc2ccc3c(c2)OCO3)n1.CNc1nc(NCCc2ccc3c(c2)OCO3)nc(N(C)C)n1.Nc1nc(N)nc(Nc2cccc3c2OCO3)n1.

What is the InChIKey of 2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-(1,3-benzodioxol-4-yl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is IJNZSMKFUFKQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2.C15H20N6O2.2C14H18N6O2.C13H16N6O2.C10H10N6O2/c1-21(2)15-18-14(19-16(20-15)22(3)4)17-8-7-11-5-6-12-13(9-11)24-10-23-12;1-16-13-18-14(20-15(19-13)21(2)3)17-7-6-10-4-5-11-12(8-10)23-9-22-11;1-20(2)14-18-12(15)17-13(19-14)16-6-5-9-3-4-10-11(7-9)22-8-21-10;1-16-13-17-12(15)18-14(19-13)20(2)6-5-9-3-4-10-11(7-9)22-8-21-10;1-15-12-17-11(14)18-13(19-12)16-5-4-8-2-3-9-10(6-8)21-7-20-9;11-8-14-9(12)16-10(15-8)13-5-2-1-3-6-7(5)18-4-17-6/h5-6,9H,7-8,10H2,1-4H3,(H,17,18,19,20);4-5,8H,6-7,9H2,1-3H3,(H2,16,17,18,19,20);2*3-4,7H,5-6,8H2,1-2H3,(H3,15,16,17,18,19);2-3,6H,4-5,7H2,1H3,(H4,14,15,16,17,18,19);1-3H,4H2,(H5,11,12,13,14,15,16).

What are the key properties of 2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-(1,3-benzodioxol-4-yl)-1,3,5-triazine-2,4,6-triamine?

2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-(1,3-benzodioxol-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1785.97 g/mol, XLogP of 5.94, 29 rotatable bonds, 13 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;4-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;2-N-(1,3-benzodioxol-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 158717927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).