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

C108H161N65O5 — CID 159053506

IUPAC2-N,4-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N,6-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-methyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N-tetramethyl-6-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,4-N,4-N-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(N(C)CCc2ccc[nH]2)n1.CN(C)c1nc(NCCc2ccc[nH]2)nc(N(C)C)n1.CN(CCc1ccco1)c1nc(N)nc(N)n1.CNc1nc(N)nc(N(C)CCc2ccc[nH]2)n1.CNc1nc(N)nc(N(C)CCc2ccco2)n1.CNc1nc(N)nc(NCCc2ccc[nH]2)n1.CNc1nc(N)nc(NCCc2ccco2)n1.CNc1nc(NC)nc(NCCc2ccc[nH]2)n1.CNc1nc(NC)nc(NCCc2ccco2)n1.Nc1nc(N)nc(NCCc2ccco2)n1
InChIInChI=1S/C13H21N7.C12H19N7.2C11H17N7.2C11H16N6O.C10H15N7.2C10H14N6O.C9H12N6O/c1-19(2)12-16-11(17-13(18-12)20(3)4)15-9-7-10-6-5-8-14-10;1-18(2)11-15-10(13)16-12(17-11)19(3)8-6-9-5-4-7-14-9;1-13-10-15-9(12)16-11(17-10)18(2)7-5-8-4-3-6-14-8;1-12-9-16-10(13-2)18-11(17-9)15-7-5-8-4-3-6-14-8;1-13-10-14-9(12)15-11(16-10)17(2)6-5-8-4-3-7-18-8;1-12-9-15-10(13-2)17-11(16-9)14-6-5-8-4-3-7-18-8;1-12-9-15-8(11)16-10(17-9)14-6-4-7-3-2-5-13-7;1-16(5-4-7-3-2-6-17-7)10-14-8(11)13-9(12)15-10;1-12-9-14-8(11)15-10(16-9)13-5-4-7-3-2-6-17-7;10-7-13-8(11)15-9(14-7)12-4-3-6-2-1-5-16-6/h5-6,8,14H,7,9H2,1-4H3,(H,15,16,17,18);4-5,7,14H,6,8H2,1-3H3,(H2,13,15,16,17);3-4,6,14H,5,7H2,1-2H3,(H3,12,13,15,16,17);3-4,6,14H,5,7H2,1-2H3,(H3,12,13,15,16,17,18);3-4,7H,5-6H2,1-2H3,(H3,12,13,14,15,16);3-4,7H,5-6H2,1-2H3,(H3,12,13,14,15,16,17);2-3,5,13H,4,6H2,1H3,(H4,11,12,14,15,16,17);2-3,6H,4-5H2,1H3,(H4,11,12,13,14,15);2-3,6H,4-5H2,1H3,(H4,11,12,13,14,15,16);1-2,5H,3-4H2,(H5,10,11,12,13,14,15)
InChIKeyJXONYAZPKLDWMC-UHFFFAOYSA-N
MW2449.93 g/mol
LogP6.74
Rot. Bonds51

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

2-N,4-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N,6-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-methyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N-tetramethyl-6-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,4-N,4-N-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 159053506) has the molecular formula C108H161N65O5 and a molecular weight of 2449.93 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N,6-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-methyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N-tetramethyl-6-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,4-N,4-N-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N,6-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-methyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N-tetramethyl-6-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,4-N,4-N-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID159053506
Molecular FormulaC108H161N65O5
Molecular Weight2449.93 g/mol
Exact Mass2448.43
IUPAC Name2-N,4-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N,6-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-methyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N-tetramethyl-6-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,4-N,4-N-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(N(C)CCc2ccc[nH]2)n1.CN(C)c1nc(NCCc2ccc[nH]2)nc(N(C)C)n1.CN(CCc1ccco1)c1nc(N)nc(N)n1.CNc1nc(N)nc(N(C)CCc2ccc[nH]2)n1.CNc1nc(N)nc(N(C)CCc2ccco2)n1.CNc1nc(N)nc(NCCc2ccc[nH]2)n1.CNc1nc(N)nc(NCCc2ccco2)n1.CNc1nc(NC)nc(NCCc2ccc[nH]2)n1.CNc1nc(NC)nc(NCCc2ccco2)n1.Nc1nc(N)nc(NCCc2ccco2)n1
InChIInChI=1S/C13H21N7.C12H19N7.2C11H17N7.2C11H16N6O.C10H15N7.2C10H14N6O.C9H12N6O/c1-19(2)12-16-11(17-13(18-12)20(3)4)15-9-7-10-6-5-8-14-10;1-18(2)11-15-10(13)16-12(17-11)19(3)8-6-9-5-4-7-14-9;1-13-10-15-9(12)16-11(17-10)18(2)7-5-8-4-3-6-14-8;1-12-9-16-10(13-2)18-11(17-9)15-7-5-8-4-3-6-14-8;1-13-10-14-9(12)15-11(16-10)17(2)6-5-8-4-3-7-18-8;1-12-9-15-10(13-2)17-11(16-9)14-6-5-8-4-3-7-18-8;1-12-9-15-8(11)16-10(17-9)14-6-4-7-3-2-5-13-7;1-16(5-4-7-3-2-6-17-7)10-14-8(11)13-9(12)15-10;1-12-9-14-8(11)15-10(16-9)13-5-4-7-3-2-6-17-7;10-7-13-8(11)15-9(14-7)12-4-3-6-2-1-5-16-6/h5-6,8,14H,7,9H2,1-4H3,(H,15,16,17,18);4-5,7,14H,6,8H2,1-3H3,(H2,13,15,16,17);3-4,6,14H,5,7H2,1-2H3,(H3,12,13,15,16,17);3-4,6,14H,5,7H2,1-2H3,(H3,12,13,15,16,17,18);3-4,7H,5-6H2,1-2H3,(H3,12,13,14,15,16);3-4,7H,5-6H2,1-2H3,(H3,12,13,14,15,16,17);2-3,5,13H,4,6H2,1H3,(H4,11,12,14,15,16,17);2-3,6H,4-5H2,1H3,(H4,11,12,13,14,15);2-3,6H,4-5H2,1H3,(H4,11,12,13,14,15,16);1-2,5H,3-4H2,(H5,10,11,12,13,14,15)
InChIKeyJXONYAZPKLDWMC-UHFFFAOYSA-N
XLogP6.74
TPSA956.63 Ų
H-Bond Donors28
H-Bond Acceptors65
Rotatable Bonds51
Heavy Atoms178
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002449.93
LogP ≤ 56.74
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1065

Analyze 2-N,4-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N,6-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-methyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N-tetramethyl-6-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,4-N,4-N-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N,6-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-methyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N-tetramethyl-6-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,4-N,4-N-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N,6-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-methyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N-tetramethyl-6-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,4-N,4-N-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (CID 159053506) is 2-N,4-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N,6-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-methyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N-tetramethyl-6-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,4-N,4-N-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N,6-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-methyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N-tetramethyl-6-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,4-N,4-N-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N,6-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-methyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N-tetramethyl-6-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,4-N,4-N-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(N(C)CCc2ccc[nH]2)n1.CN(C)c1nc(NCCc2ccc[nH]2)nc(N(C)C)n1.CN(CCc1ccco1)c1nc(N)nc(N)n1.CNc1nc(N)nc(N(C)CCc2ccc[nH]2)n1.CNc1nc(N)nc(N(C)CCc2ccco2)n1.CNc1nc(N)nc(NCCc2ccc[nH]2)n1.CNc1nc(N)nc(NCCc2ccco2)n1.CNc1nc(NC)nc(NCCc2ccc[nH]2)n1.CNc1nc(NC)nc(NCCc2ccco2)n1.Nc1nc(N)nc(NCCc2ccco2)n1.
What is the InChIKey of 2-N,4-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N,6-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-methyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N-tetramethyl-6-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,4-N,4-N-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JXONYAZPKLDWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7.C12H19N7.2C11H17N7.2C11H16N6O.C10H15N7.2C10H14N6O.C9H12N6O/c1-19(2)12-16-11(17-13(18-12)20(3)4)15-9-7-10-6-5-8-14-10;1-18(2)11-15-10(13)16-12(17-11)19(3)8-6-9-5-4-7-14-9;1-13-10-15-9(12)16-11(17-10)18(2)7-5-8-4-3-6-14-8;1-12-9-16-10(13-2)18-11(17-9)15-7-5-8-4-3-6-14-8;1-13-10-14-9(12)15-11(16-10)17(2)6-5-8-4-3-7-18-8;1-12-9-15-10(13-2)17-11(16-9)14-6-5-8-4-3-7-18-8;1-12-9-15-8(11)16-10(17-9)14-6-4-7-3-2-5-13-7;1-16(5-4-7-3-2-6-17-7)10-14-8(11)13-9(12)15-10;1-12-9-14-8(11)15-10(16-9)13-5-4-7-3-2-6-17-7;10-7-13-8(11)15-9(14-7)12-4-3-6-2-1-5-16-6/h5-6,8,14H,7,9H2,1-4H3,(H,15,16,17,18);4-5,7,14H,6,8H2,1-3H3,(H2,13,15,16,17);3-4,6,14H,5,7H2,1-2H3,(H3,12,13,15,16,17);3-4,6,14H,5,7H2,1-2H3,(H3,12,13,15,16,17,18);3-4,7H,5-6H2,1-2H3,(H3,12,13,14,15,16);3-4,7H,5-6H2,1-2H3,(H3,12,13,14,15,16,17);2-3,5,13H,4,6H2,1H3,(H4,11,12,14,15,16,17);2-3,6H,4-5H2,1H3,(H4,11,12,13,14,15);2-3,6H,4-5H2,1H3,(H4,11,12,13,14,15,16);1-2,5H,3-4H2,(H5,10,11,12,13,14,15).
What are the key properties of 2-N,4-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N,6-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-methyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N-tetramethyl-6-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,4-N,4-N-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N,6-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-methyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N-tetramethyl-6-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,4-N,4-N-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 2449.93 g/mol, XLogP of 6.74, 51 rotatable bonds, 28 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N,6-N-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-methyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,2-N,4-N,4-N-tetramethyl-6-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;2-N,4-N,4-N-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 159053506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).