2-N,2-N-dimethyl-4-N-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N,2-N-dimethyl-4-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N,2-N-dimethyl-4-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-methyl-2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-methyl-2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine

C118H176N60O3 — CID 158317461

About 2-N,2-N-dimethyl-4-N-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N,2-N-dimethyl-4-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N,2-N-dimethyl-4-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-methyl-2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-methyl-2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine

2-N,2-N-dimethyl-4-N-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N,2-N-dimethyl-4-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N,2-N-dimethyl-4-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-methyl-2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-methyl-2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 158317461) has the molecular formula C118H176N60O3 and a molecular weight of 2483.12 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N,2-N-dimethyl-4-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N,2-N-dimethyl-4-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-methyl-2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-methyl-2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N,2-N-dimethyl-4-N-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N,2-N-dimethyl-4-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N,2-N-dimethyl-4-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-methyl-2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-methyl-2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 158317461
• Molecular Formula: C118H176N60O3
• Molecular Weight: 2483.12 g/mol
• Exact Mass: 2481.55
• IUPAC Name: 2-N,2-N-dimethyl-4-N-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N,2-N-dimethyl-4-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N,2-N-dimethyl-4-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-methyl-2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-methyl-2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
• SMILES: CC1=C(CCNc2nc(N)nc(N(C)C)n2)C=CC1.CC1=CCC=C1CCN(C)c1nc(N)nc(N)n1.CC1=CCC=C1CCN(C)c1nc(N)nc(N)n1.CC1=CCC=C1CCNc1nc(N)nc(N(C)C)n1.CC1=CCC=C1CCNc1nc(N)nc(N(C)C)n1.CC1=CCC=C1CCNc1nc(N)nc(N)n1.CC1=CCC=C1CCNc1nc(N)nc(N)n1.Cc1occc1CCN(C)c1nc(N)nc(N)n1.Cc1occc1CCNc1nc(N)nc(N(C)C)n1.Cc1occc1CCNc1nc(N)nc(N)n1
• InChI: InChI=1S/3C13H20N6.C12H18N6O.2C12H18N6.C11H16N6O.2C11H16N6.C10H14N6O/c3*1-9-5-4-6-10(9)7-8-15-12-16-11(14)17-13(18-12)19(2)3;1-8-9(5-7-19-8)4-6-14-11-15-10(13)16-12(17-11)18(2)3;2*1-8-4-3-5-9(8)6-7-18(2)12-16-10(13)15-11(14)17-12;1-7-8(4-6-18-7)3-5-17(2)11-15-9(12)14-10(13)16-11;2*1-7-3-2-4-8(7)5-6-14-11-16-9(12)15-10(13)17-11;1-6-7(3-5-17-6)2-4-13-10-15-8(11)14-9(12)16-10/h2*5-6H,4,7-8H2,1-3H3,(H3,14,15,16,17,18);4,6H,5,7-8H2,1-3H3,(H3,14,15,16,17,18);5,7H,4,6H2,1-3H3,(H3,13,14,15,16,17);2*4-5H,3,6-7H2,1-2H3,(H4,13,14,15,16,17);4,6H,3,5H2,1-2H3,(H4,12,13,14,15,16);2*3-4H,2,5-6H2,1H3,(H5,12,13,14,15,16,17);3,5H,2,4H2,1H3,(H5,11,12,13,14,15,16)
• InChIKey: GOLBLTRMEIAAIM-UHFFFAOYSA-N
• XLogP: 11.58
• TPSA: 949.33 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 63
• Rotatable Bonds: 44
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2483.12
LogP ≤ 5	11.58
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	63

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N,2-N-dimethyl-4-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N,2-N-dimethyl-4-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-methyl-2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-methyl-2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N,2-N-dimethyl-4-N-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N,2-N-dimethyl-4-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N,2-N-dimethyl-4-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-methyl-2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-methyl-2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (CID 158317461) is 2-N,2-N-dimethyl-4-N-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N,2-N-dimethyl-4-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N,2-N-dimethyl-4-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-methyl-2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-methyl-2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N,2-N-dimethyl-4-N-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N,2-N-dimethyl-4-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N,2-N-dimethyl-4-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-methyl-2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-methyl-2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N,2-N-dimethyl-4-N-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N,2-N-dimethyl-4-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N,2-N-dimethyl-4-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-methyl-2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-methyl-2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is CC1=C(CCNc2nc(N)nc(N(C)C)n2)C=CC1.CC1=CCC=C1CCN(C)c1nc(N)nc(N)n1.CC1=CCC=C1CCN(C)c1nc(N)nc(N)n1.CC1=CCC=C1CCNc1nc(N)nc(N(C)C)n1.CC1=CCC=C1CCNc1nc(N)nc(N(C)C)n1.CC1=CCC=C1CCNc1nc(N)nc(N)n1.CC1=CCC=C1CCNc1nc(N)nc(N)n1.Cc1occc1CCN(C)c1nc(N)nc(N)n1.Cc1occc1CCNc1nc(N)nc(N(C)C)n1.Cc1occc1CCNc1nc(N)nc(N)n1.

What is the InChIKey of 2-N,2-N-dimethyl-4-N-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N,2-N-dimethyl-4-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N,2-N-dimethyl-4-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-methyl-2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-methyl-2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?

The InChIKey is GOLBLTRMEIAAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H20N6.C12H18N6O.2C12H18N6.C11H16N6O.2C11H16N6.C10H14N6O/c3*1-9-5-4-6-10(9)7-8-15-12-16-11(14)17-13(18-12)19(2)3;1-8-9(5-7-19-8)4-6-14-11-15-10(13)16-12(17-11)18(2)3;2*1-8-4-3-5-9(8)6-7-18(2)12-16-10(13)15-11(14)17-12;1-7-8(4-6-18-7)3-5-17(2)11-15-9(12)14-10(13)16-11;2*1-7-3-2-4-8(7)5-6-14-11-16-9(12)15-10(13)17-11;1-6-7(3-5-17-6)2-4-13-10-15-8(11)14-9(12)16-10/h2*5-6H,4,7-8H2,1-3H3,(H3,14,15,16,17,18);4,6H,5,7-8H2,1-3H3,(H3,14,15,16,17,18);5,7H,4,6H2,1-3H3,(H3,13,14,15,16,17);2*4-5H,3,6-7H2,1-2H3,(H4,13,14,15,16,17);4,6H,3,5H2,1-2H3,(H4,12,13,14,15,16);2*3-4H,2,5-6H2,1H3,(H5,12,13,14,15,16,17);3,5H,2,4H2,1H3,(H5,11,12,13,14,15,16).

What are the key properties of 2-N,2-N-dimethyl-4-N-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N,2-N-dimethyl-4-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N,2-N-dimethyl-4-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-methyl-2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-methyl-2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?

2-N,2-N-dimethyl-4-N-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N,2-N-dimethyl-4-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N,2-N-dimethyl-4-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-methyl-2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-methyl-2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 2483.12 g/mol, XLogP of 11.58, 44 rotatable bonds, 23 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,2-N-dimethyl-4-N-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N,2-N-dimethyl-4-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N,2-N-dimethyl-4-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;bis(2-N-methyl-2-N-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]-1,3,5-triazine-2,4,6-triamine);2-N-methyl-2-N-[2-(2-methylfuran-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 158317461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).