6-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;4-benzylsulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-methylpiperazin-1-yl)-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine;4-[(4-fluorophenyl)methylsulfanyl]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylmethoxy-1,3,5-triazin-2-amine

C116H134FN37O5S2 — CID 159842223

IUPAC6-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;4-benzylsulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-methylpiperazin-1-yl)-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine;4-[(4-fluorophenyl)methylsulfanyl]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylmethoxy-1,3,5-triazin-2-amine
SMILESCN(C)CCN(C)c1nc(NCc2ccccc2)nc(NC2=NCC(c3ccco3)=C2)n1.CN1CCN(c2nc(NC3=NCC(C4CC4)=C3)nc(NC(C)(C)c3ccccc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(OCc3ccccc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(SCc3ccc(F)cc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(SCc3ccccc3)n2)CC1
InChIInChI=1S/C24H32N8.C23H24FN7OS.C23H28N8O.C23H25N7O2.C23H25N7OS/c1-24(2,19-7-5-4-6-8-19)30-22-27-21(26-20-15-18(16-25-20)17-9-10-17)28-23(29-22)32-13-11-31(3)12-14-32;1-30-8-10-31(11-9-30)22-27-21(26-20-13-17(14-25-20)19-3-2-12-32-19)28-23(29-22)33-15-16-4-6-18(24)7-5-16;1-30(2)11-12-31(3)23-28-21(25-15-17-8-5-4-6-9-17)27-22(29-23)26-20-14-18(16-24-20)19-10-7-13-32-19;2*1-29-9-11-30(12-10-29)22-26-21(25-20-14-18(15-24-20)19-8-5-13-31-19)27-23(28-22)32-16-17-6-3-2-4-7-17/h4-8,15,17H,9-14,16H2,1-3H3,(H2,25,26,27,28,29,30);2-7,12-13H,8-11,14-15H2,1H3,(H,25,26,27,28,29);4-10,13-14H,11-12,15-16H2,1-3H3,(H2,24,25,26,27,28,29);2*2-8,13-14H,9-12,15-16H2,1H3,(H,24,25,26,27,28)
InChIKeyNOVBOMHGHXHGTA-UHFFFAOYSA-N
MW2209.73 g/mol
LogP15.79
Rot. Bonds33

About 6-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;4-benzylsulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-methylpiperazin-1-yl)-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine;4-[(4-fluorophenyl)methylsulfanyl]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylmethoxy-1,3,5-triazin-2-amine

6-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;4-benzylsulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-methylpiperazin-1-yl)-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine;4-[(4-fluorophenyl)methylsulfanyl]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylmethoxy-1,3,5-triazin-2-amine (PubChem CID 159842223) has the molecular formula C116H134FN37O5S2 and a molecular weight of 2209.73 g/mol. Its IUPAC name is 6-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;4-benzylsulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-methylpiperazin-1-yl)-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine;4-[(4-fluorophenyl)methylsulfanyl]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylmethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name6-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;4-benzylsulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-methylpiperazin-1-yl)-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine;4-[(4-fluorophenyl)methylsulfanyl]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylmethoxy-1,3,5-triazin-2-amine
PubChem CID159842223
Molecular FormulaC116H134FN37O5S2
Molecular Weight2209.73 g/mol
Exact Mass2208.08
IUPAC Name6-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;4-benzylsulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-methylpiperazin-1-yl)-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine;4-[(4-fluorophenyl)methylsulfanyl]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylmethoxy-1,3,5-triazin-2-amine
SMILESCN(C)CCN(C)c1nc(NCc2ccccc2)nc(NC2=NCC(c3ccco3)=C2)n1.CN1CCN(c2nc(NC3=NCC(C4CC4)=C3)nc(NC(C)(C)c3ccccc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(OCc3ccccc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(SCc3ccc(F)cc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(SCc3ccccc3)n2)CC1
InChIInChI=1S/C24H32N8.C23H24FN7OS.C23H28N8O.C23H25N7O2.C23H25N7OS/c1-24(2,19-7-5-4-6-8-19)30-22-27-21(26-20-15-18(16-25-20)17-9-10-17)28-23(29-22)32-13-11-31(3)12-14-32;1-30-8-10-31(11-9-30)22-27-21(26-20-13-17(14-25-20)19-3-2-12-32-19)28-23(29-22)33-15-16-4-6-18(24)7-5-16;1-30(2)11-12-31(3)23-28-21(25-15-17-8-5-4-6-9-17)27-22(29-23)26-20-14-18(16-24-20)19-10-7-13-32-19;2*1-29-9-11-30(12-10-29)22-26-21(25-20-14-18(15-24-20)19-8-5-13-31-19)27-23(28-22)32-16-17-6-3-2-4-7-17/h4-8,15,17H,9-14,16H2,1-3H3,(H2,25,26,27,28,29,30);2-7,12-13H,8-11,14-15H2,1H3,(H,25,26,27,28,29);4-10,13-14H,11-12,15-16H2,1-3H3,(H2,24,25,26,27,28,29);2*2-8,13-14H,9-12,15-16H2,1H3,(H,24,25,26,27,28)
InChIKeyNOVBOMHGHXHGTA-UHFFFAOYSA-N
XLogP15.79
TPSA433.55 Ų
H-Bond Donors7
H-Bond Acceptors44
Rotatable Bonds33
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002209.73
LogP ≤ 515.79
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1044

Analyze 6-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;4-benzylsulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-methylpiperazin-1-yl)-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine;4-[(4-fluorophenyl)methylsulfanyl]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylmethoxy-1,3,5-triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;4-benzylsulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-methylpiperazin-1-yl)-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine;4-[(4-fluorophenyl)methylsulfanyl]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylmethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 6-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;4-benzylsulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-methylpiperazin-1-yl)-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine;4-[(4-fluorophenyl)methylsulfanyl]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylmethoxy-1,3,5-triazin-2-amine (CID 159842223) is 6-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;4-benzylsulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-methylpiperazin-1-yl)-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine;4-[(4-fluorophenyl)methylsulfanyl]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylmethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 6-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;4-benzylsulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-methylpiperazin-1-yl)-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine;4-[(4-fluorophenyl)methylsulfanyl]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylmethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 6-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;4-benzylsulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-methylpiperazin-1-yl)-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine;4-[(4-fluorophenyl)methylsulfanyl]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylmethoxy-1,3,5-triazin-2-amine is CN(C)CCN(C)c1nc(NCc2ccccc2)nc(NC2=NCC(c3ccco3)=C2)n1.CN1CCN(c2nc(NC3=NCC(C4CC4)=C3)nc(NC(C)(C)c3ccccc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(OCc3ccccc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(SCc3ccc(F)cc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(SCc3ccccc3)n2)CC1.
What is the InChIKey of 6-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;4-benzylsulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-methylpiperazin-1-yl)-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine;4-[(4-fluorophenyl)methylsulfanyl]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylmethoxy-1,3,5-triazin-2-amine?
The InChIKey is NOVBOMHGHXHGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8.C23H24FN7OS.C23H28N8O.C23H25N7O2.C23H25N7OS/c1-24(2,19-7-5-4-6-8-19)30-22-27-21(26-20-15-18(16-25-20)17-9-10-17)28-23(29-22)32-13-11-31(3)12-14-32;1-30-8-10-31(11-9-30)22-27-21(26-20-13-17(14-25-20)19-3-2-12-32-19)28-23(29-22)33-15-16-4-6-18(24)7-5-16;1-30(2)11-12-31(3)23-28-21(25-15-17-8-5-4-6-9-17)27-22(29-23)26-20-14-18(16-24-20)19-10-7-13-32-19;2*1-29-9-11-30(12-10-29)22-26-21(25-20-14-18(15-24-20)19-8-5-13-31-19)27-23(28-22)32-16-17-6-3-2-4-7-17/h4-8,15,17H,9-14,16H2,1-3H3,(H2,25,26,27,28,29,30);2-7,12-13H,8-11,14-15H2,1H3,(H,25,26,27,28,29);4-10,13-14H,11-12,15-16H2,1-3H3,(H2,24,25,26,27,28,29);2*2-8,13-14H,9-12,15-16H2,1H3,(H,24,25,26,27,28).
What are the key properties of 6-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;4-benzylsulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-methylpiperazin-1-yl)-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine;4-[(4-fluorophenyl)methylsulfanyl]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylmethoxy-1,3,5-triazin-2-amine?
6-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;4-benzylsulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-methylpiperazin-1-yl)-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine;4-[(4-fluorophenyl)methylsulfanyl]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylmethoxy-1,3,5-triazin-2-amine has a molecular weight of 2209.73 g/mol, XLogP of 15.79, 33 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine;4-benzylsulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-(4-methylpiperazin-1-yl)-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine;4-[(4-fluorophenyl)methylsulfanyl]-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylmethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 159842223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).