C187H281BrClN43O3S2 — CID 160609797
5-bromo-3-tert-butylpyrazin-2-amine;2-tert-butyl-3-chloropyrazine;2-tert-butyl-3-(cyclopropylmethyl)pyrazine;3-tert-butylimidazo[1,2-b]pyridazin-2-amine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-N-methylpyrazin-2-amine;2-tert-butyl-3-methylpyrazine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyrazine;1-(3-tert-butylpyrazin-2-yl)ethanone;4-tert-butyl-1H-pyrazol-5-amine;2-tert-butylpyridin-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidin-4-amine;4-(5-tert-butylpyrimidin-4-yl)morpholine;3-tert-butyl-1H-pyrrole;3-tert-butyl-2-(1H-pyrrol-3-yl)pyridine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide (PubChem CID 160609797) has the molecular formula C187H281BrClN43O3S2 and a molecular weight of 3359.09 g/mol. Its IUPAC name is 5-bromo-3-tert-butylpyrazin-2-amine;2-tert-butyl-3-chloropyrazine;2-tert-butyl-3-(cyclopropylmethyl)pyrazine;3-tert-butylimidazo[1,2-b]pyridazin-2-amine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-N-methylpyrazin-2-amine;2-tert-butyl-3-methylpyrazine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyrazine;1-(3-tert-butylpyrazin-2-yl)ethanone;4-tert-butyl-1H-pyrazol-5-amine;2-tert-butylpyridin-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidin-4-amine;4-(5-tert-butylpyrimidin-4-yl)morpholine;3-tert-butyl-1H-pyrrole;3-tert-butyl-2-(1H-pyrrol-3-yl)pyridine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide.
| Compound Name | 5-bromo-3-tert-butylpyrazin-2-amine;2-tert-butyl-3-chloropyrazine;2-tert-butyl-3-(cyclopropylmethyl)pyrazine;3-tert-butylimidazo[1,2-b]pyridazin-2-amine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-N-methylpyrazin-2-amine;2-tert-butyl-3-methylpyrazine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyrazine;1-(3-tert-butylpyrazin-2-yl)ethanone;4-tert-butyl-1H-pyrazol-5-amine;2-tert-butylpyridin-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidin-4-amine;4-(5-tert-butylpyrimidin-4-yl)morpholine;3-tert-butyl-1H-pyrrole;3-tert-butyl-2-(1H-pyrrol-3-yl)pyridine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide |
|---|---|
| PubChem CID | 160609797 |
| Molecular Formula | C187H281BrClN43O3S2 |
| Molecular Weight | 3359.09 g/mol |
| Exact Mass | 3355.15 |
| IUPAC Name | 5-bromo-3-tert-butylpyrazin-2-amine;2-tert-butyl-3-chloropyrazine;2-tert-butyl-3-(cyclopropylmethyl)pyrazine;3-tert-butylimidazo[1,2-b]pyridazin-2-amine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-N-methylpyrazin-2-amine;2-tert-butyl-3-methylpyrazine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyrazine;1-(3-tert-butylpyrazin-2-yl)ethanone;4-tert-butyl-1H-pyrazol-5-amine;2-tert-butylpyridin-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidin-4-amine;4-(5-tert-butylpyrimidin-4-yl)morpholine;3-tert-butyl-1H-pyrrole;3-tert-butyl-2-(1H-pyrrol-3-yl)pyridine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide |
| SMILES | CC(=O)Nc1ncc(C(C)(C)C)s1.CC(=O)c1nccnc1C(C)(C)C.CC(C)(C)c1c(N)nc2cccnn12.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1-c1cc[nH]c1.CC(C)(C)c1cn[nH]c1N.CC(C)(C)c1cnc2cccnn12.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1N.CC(C)(C)c1cncnc1N1CCOCC1.CC(C)(C)c1nc(Br)cnc1N.CC(C)(C)c1ncccc1N.CC(C)(C)c1nccnc1CC1CC1.CC(C)(C)c1nccnc1Cl.CNc1nccnc1C(C)(C)C.Cc1cccc(C(C)(C)C)n1.Cc1ncc(C(C)(C)C)s1.Cc1ncccc1C(C)(C)C.Cc1nccnc1C(C)(C)C |
| InChI | InChI=1S/C13H16N2.C12H19N3O.C12H18N2.C10H14N4.C10H13N3.C10H14N2O.2C10H15N.C9H15N3.C9H14N2OS.2C9H14N2.C9H13N.C8H12BrN3.C8H11ClN2.C8H13N3.C8H12N2.C8H13NS.C8H13N.C7H13N3/c1-13(2,3)11-5-4-7-15-12(11)10-6-8-14-9-10;1-12(2,3)10-8-13-9-14-11(10)15-4-6-16-7-5-15;1-12(2,3)11-10(8-9-4-5-9)13-6-7-14-11;1-10(2,3)8-9(11)13-7-5-4-6-12-14(7)8;1-10(2,3)8-7-11-9-5-4-6-12-13(8)9;1-7(13)8-9(10(2,3)4)12-6-5-11-8;1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-8(10-4)12-6-5-11-7;1-6(12)11-8-10-5-7(13-8)9(2,3)4;1-7-8(9(2,3)4)11-6-5-10-7;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)6-7(10)11-4-5(9)12-6;1-8(2,3)6-7(9)11-5-4-10-6;1-8(2,3)6-4-10-5-11-7(6)9;1-8(2,3)7-6-9-4-5-10-7;1-6-9-5-7(10-6)8(2,3)4;1-8(2,3)7-4-5-9-6-7;1-7(2,3)5-4-9-10-6(5)8/h4-9,14H,1-3H3;8-9H,4-7H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;4-6H,11H2,1-3H3;4-7H,1-3H3;5-6H,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3,(H,10,12);5H,1-4H3,(H,10,11,12);5-6H,1-4H3;4-6H,10H2,1-3H3;4-7H,1-3H3;4H,1-3H3,(H2,10,11);4-5H,1-3H3;4-5H,1-3H3,(H2,9,10,11);4-6H,1-3H3;5H,1-4H3;4-6,9H,1-3H3;4H,1-3H3,(H3,8,9,10) |
| InChIKey | RFJAQRRFBQSQTM-UHFFFAOYSA-N |
| XLogP | 43.36 |
| TPSA | 643.66 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 237 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3359.09 |
| LogP ≤ 5 | 43.36 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 44 |