About 2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;bis(5-tert-butyl-2-methoxypyridine);2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane
2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;bis(5-tert-butyl-2-methoxypyridine);2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane (PubChem CID 159072938) has the molecular formula C80H143N11O7
and a molecular weight of 1371.09 g/mol. Its IUPAC name is 2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;bis(5-tert-butyl-2-methoxypyridine);2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane.
Molecular Properties
| Compound Name | 2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;bis(5-tert-butyl-2-methoxypyridine);2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane |
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| PubChem CID | 159072938 |
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| Molecular Formula | C80H143N11O7 |
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| Molecular Weight | 1371.09 g/mol |
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| Exact Mass | 1370.12 |
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| IUPAC Name | 2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;bis(5-tert-butyl-2-methoxypyridine);2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane |
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| SMILES | CC.CC.CC.CC.CC.CC.CC.COc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)nn1.COc1cnc(C(C)(C)C)cn1.COc1cnc(C(C)(C)C)nc1.COc1ncc(C(C)(C)C)cn1 |
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| InChI | InChI=1S/3C10H15NO.4C9H14N2O.7C2H6/c1-10(2,3)9-6-5-8(12-4)7-11-9;2*1-10(2,3)8-5-6-9(12-4)11-7-8;1-9(2,3)7-5-11-8(12-4)6-10-7;1-9(2,3)8-10-5-7(12-4)6-11-8;1-9(2,3)7-5-10-8(12-4)11-6-7;1-9(2,3)7-5-6-8(12-4)11-10-7;7*1-2/h3*5-7H,1-4H3;4*5-6H,1-4H3;7*1-2H3 |
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| InChIKey | JZWWLOHGQFBERN-UHFFFAOYSA-N |
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| XLogP | 21.48 |
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| TPSA | 206.40 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 18 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 98 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1371.09 |
| LogP ≤ 5 | 21.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
Analyze 2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;bis(5-tert-butyl-2-methoxypyridine);2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;bis(5-tert-butyl-2-methoxypyridine);2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane?
The IUPAC name of 2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;bis(5-tert-butyl-2-methoxypyridine);2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane (CID 159072938) is 2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;bis(5-tert-butyl-2-methoxypyridine);2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane.
What is the SMILES notation for 2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;bis(5-tert-butyl-2-methoxypyridine);2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane?
The canonical SMILES for 2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;bis(5-tert-butyl-2-methoxypyridine);2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane is CC.CC.CC.CC.CC.CC.CC.COc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)nn1.COc1cnc(C(C)(C)C)cn1.COc1cnc(C(C)(C)C)nc1.COc1ncc(C(C)(C)C)cn1.
What is the InChIKey of 2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;bis(5-tert-butyl-2-methoxypyridine);2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane?
The InChIKey is JZWWLOHGQFBERN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H15NO.4C9H14N2O.7C2H6/c1-10(2,3)9-6-5-8(12-4)7-11-9;2*1-10(2,3)8-5-6-9(12-4)11-7-8;1-9(2,3)7-5-11-8(12-4)6-10-7;1-9(2,3)8-10-5-7(12-4)6-11-8;1-9(2,3)7-5-10-8(12-4)11-6-7;1-9(2,3)7-5-6-8(12-4)11-10-7;7*1-2/h3*5-7H,1-4H3;4*5-6H,1-4H3;7*1-2H3.
What are the key properties of 2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;bis(5-tert-butyl-2-methoxypyridine);2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane?
2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;bis(5-tert-butyl-2-methoxypyridine);2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane has a molecular weight of 1371.09 g/mol, XLogP of 21.48, 7 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;bis(5-tert-butyl-2-methoxypyridine);2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane is sourced from PubChem (CID 159072938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).