C100H164N60O6S6 — CID 158047357
1-carbamimidoyl-1,3-dimethyl-3-(5-methylfuran-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylfuran-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylfuran-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylfuran-2-yl)guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylfuran-2-yl)guanidine (PubChem CID 158047357) has the molecular formula C100H164N60O6S6 and a molecular weight of 2495.23 g/mol. Its IUPAC name is 1-carbamimidoyl-1,3-dimethyl-3-(5-methylfuran-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylfuran-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylfuran-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylfuran-2-yl)guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylfuran-2-yl)guanidine.
| Compound Name | 1-carbamimidoyl-1,3-dimethyl-3-(5-methylfuran-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylfuran-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylfuran-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylfuran-2-yl)guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylfuran-2-yl)guanidine |
|---|---|
| PubChem CID | 158047357 |
| Molecular Formula | C100H164N60O6S6 |
| Molecular Weight | 2495.23 g/mol |
| Exact Mass | 2493.27 |
| IUPAC Name | 1-carbamimidoyl-1,3-dimethyl-3-(5-methylfuran-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylfuran-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylfuran-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylfuran-2-yl)guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylfuran-2-yl)guanidine |
| SMILES | C/N=C(/N=C(N)N)N(C)c1ccc(C)o1.C/N=C(/N=C(N)N)N(C)c1ccc(C)s1.C/N=C(/N=C(N)N)Nc1ccc(C)s1.C/N=C(\N)N=C(N)N(C)c1ccc(C)o1.C/N=C(\N)NC(N)=Nc1ccc(C)o1.C/N=C(\N)NC(N)=Nc1ccc(C)s1.Cc1ccc(N=C(N)N=C(N)N(C)C)o1.Cc1ccc(N=C(N)N=C(N)N)s1.[H]/N=C(\N)N(C)/C(=N\[H])N(C)c1ccc(C)o1.[H]/N=C(\N)N(C)C(N)=Nc1ccc(C)o1.[H]/N=C(\N)N(C)C(N)=Nc1ccc(C)s1.[H]/N=C(\N=C(N)N)N(C)c1ccc(C)s1 |
| InChI | InChI=1S/4C9H15N5O.C9H15N5S.2C8H13N5O.4C8H13N5S.C7H11N5S/c1-6-4-5-7(15-6)12-8(10)13-9(11)14(2)3;1-6-4-5-7(15-6)14(3)9(11)13-8(10)12-2;1-6-4-5-7(15-6)13(2)9(12)14(3)8(10)11;2*1-6-4-5-7(15-6)14(3)9(12-2)13-8(10)11;1-5-3-4-6(14-5)12-8(10)13-7(9)11-2;1-5-3-4-6(14-5)12-8(11)13(2)7(9)10;1-5-3-4-6(14-5)12-8(10)13-7(9)11-2;1-5-3-4-6(14-5)13(2)8(11)12-7(9)10;1-5-3-4-6(14-5)12-8(11)13(2)7(9)10;1-5-3-4-6(14-5)12-8(11-2)13-7(9)10;1-4-2-3-5(13-4)11-7(10)12-6(8)9/h2*4-5H,1-3H3,(H4,10,11,12,13);4-5,12H,1-3H3,(H3,10,11);2*4-5H,1-3H3,(H4,10,11,12,13);3-4H,1-2H3,(H5,9,10,11,12,13);3-4H,1-2H3,(H3,9,10)(H2,11,12);3-4H,1-2H3,(H5,9,10,11,12,13);3-4H,1-2H3,(H5,9,10,11,12);3-4H,1-2H3,(H3,9,10)(H2,11,12);3-4H,1-2H3,(H5,9,10,11,12,13);2-3H,1H3,(H6,8,9,10,11,12)/b;;12-9-;;;;;;;;; |
| InChIKey | FJBOWIVEQJAZCC-BGZOAVKZSA-N |
| XLogP | 6.01 |
| TPSA | 1122.66 Ų |
| H-Bond Donors | 32 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 172 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2495.23 |
| LogP ≤ 5 | 6.01 |
| H-Bond Donors ≤ 5 | 32 |
| H-Bond Acceptors ≤ 10 | 29 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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