C134H133N25O19S14 — CID 167635191
N-benzyl-5-methoxy-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfonylphenyl)-6-phenylmethoxypyrazine;2-(4-methylsulfonylphenyl)-6-[[(2S)-thiolan-2-yl]methoxy]pyrazine;6-(4-methylsulfonylphenyl)-N-[[(2S)-thiolan-2-yl]methyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethylamino)pyrazine-2-carbonitrile;5-(4-methylsulfonylphenyl)-3-N-(thiophen-2-ylmethyl)pyrazine-2,3-diamine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-5-amine (PubChem CID 167635191) has the molecular formula C134H133N25O19S14 and a molecular weight of 2846.63 g/mol. Its IUPAC name is N-benzyl-5-methoxy-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfonylphenyl)-6-phenylmethoxypyrazine;2-(4-methylsulfonylphenyl)-6-[[(2S)-thiolan-2-yl]methoxy]pyrazine;6-(4-methylsulfonylphenyl)-N-[[(2S)-thiolan-2-yl]methyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethylamino)pyrazine-2-carbonitrile;5-(4-methylsulfonylphenyl)-3-N-(thiophen-2-ylmethyl)pyrazine-2,3-diamine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-5-amine.
| Compound Name | N-benzyl-5-methoxy-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfonylphenyl)-6-phenylmethoxypyrazine;2-(4-methylsulfonylphenyl)-6-[[(2S)-thiolan-2-yl]methoxy]pyrazine;6-(4-methylsulfonylphenyl)-N-[[(2S)-thiolan-2-yl]methyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethylamino)pyrazine-2-carbonitrile;5-(4-methylsulfonylphenyl)-3-N-(thiophen-2-ylmethyl)pyrazine-2,3-diamine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-5-amine |
|---|---|
| PubChem CID | 167635191 |
| Molecular Formula | C134H133N25O19S14 |
| Molecular Weight | 2846.63 g/mol |
| Exact Mass | 2843.63 |
| IUPAC Name | N-benzyl-5-methoxy-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(4-methylsulfonylphenyl)-6-phenylmethoxypyrazine;2-(4-methylsulfonylphenyl)-6-[[(2S)-thiolan-2-yl]methoxy]pyrazine;6-(4-methylsulfonylphenyl)-N-[[(2S)-thiolan-2-yl]methyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethylamino)pyrazine-2-carbonitrile;5-(4-methylsulfonylphenyl)-3-N-(thiophen-2-ylmethyl)pyrazine-2,3-diamine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-5-amine |
| SMILES | COc1ncc(NCc2ccccc2)nc1-c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cnc(C#N)c(NCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(NCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NC[C@@H]3CCCS3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(OC[C@@H]3CCCS3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(OCc3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2nncc(NCc3cccs3)n2)cc1.C[C@@H](Nc1cncc(-c2ccc(S(C)(=O)=O)cc2)n1)c1cccs1 |
| InChI | InChI=1S/C19H19N3O3S.C18H16N2O3S.C17H14N4O2S2.C17H17N3O2S2.C16H16N4O2S2.C16H19N3O2S2.C16H18N2O3S2.C15H14N4O2S2/c1-25-19-18(15-8-10-16(11-9-15)26(2,23)24)22-17(13-21-19)20-12-14-6-4-3-5-7-14;1-24(21,22)16-9-7-15(8-10-16)17-11-19-12-18(20-17)23-13-14-5-3-2-4-6-14;1-25(22,23)14-6-4-12(5-7-14)16-11-19-15(9-18)17(21-16)20-10-13-3-2-8-24-13;1-12(16-4-3-9-23-16)19-17-11-18-10-15(20-17)13-5-7-14(8-6-13)24(2,21)22;1-24(21,22)13-6-4-11(5-7-13)14-10-18-15(17)16(20-14)19-9-12-3-2-8-23-12;1-23(20,21)14-6-4-12(5-7-14)15-10-17-11-16(19-15)18-9-13-3-2-8-22-13;1-23(19,20)14-6-4-12(5-7-14)15-9-17-10-16(18-15)21-11-13-3-2-8-22-13;1-23(20,21)13-6-4-11(5-7-13)15-18-14(10-17-19-15)16-9-12-3-2-8-22-12/h3-11,13H,12H2,1-2H3,(H,20,22);2-12H,13H2,1H3;2-8,11H,10H2,1H3,(H,20,21);3-12H,1-2H3,(H,19,20);2-8,10H,9H2,1H3,(H2,17,18)(H,19,20);4-7,10-11,13H,2-3,8-9H2,1H3,(H,18,19);4-7,9-10,13H,2-3,8,11H2,1H3;2-8,10H,9H2,1H3,(H,16,18,19)/t;;;12-;;2*13-;/m...1.00./s1 |
| InChIKey | OJKYMFHCPJDNCH-QTIHKLDISA-N |
| XLogP | 24.26 |
| TPSA | 641.93 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 192 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2846.63 |
| LogP ≤ 5 | 24.26 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 50 |