5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane

C81H145N11O6 — CID 157361369

About 5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane

5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane (PubChem CID 157361369) has the molecular formula C81H145N11O6 and a molecular weight of 1369.12 g/mol. Its IUPAC name is 5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane.

Molecular Properties

• Compound Name: 5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane
• PubChem CID: 157361369
• Molecular Formula: C81H145N11O6
• Molecular Weight: 1369.12 g/mol
• Exact Mass: 1368.14
• IUPAC Name: 5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CCc1ccc(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
• InChI: InChI=1S/C11H17N.2C10H15NO.4C9H14N2O.7C2H6/c1-5-10-7-6-9(8-12-10)11(2,3)4;1-10(2,3)9-6-5-8(12-4)7-11-9;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/h6-8H,5H2,1-4H3;2*5-7H,1-4H3;4*5-6H,1-4H3;7*1-2H3
• InChIKey: BIRGPHFWXTXFKF-UHFFFAOYSA-N
• XLogP: 22.03
• TPSA: 197.17 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1369.12
LogP ≤ 5	22.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane?

The IUPAC name of 5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane (CID 157361369) is 5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane.

What is the SMILES notation for 5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane?

The canonical SMILES for 5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane is CC.CC.CC.CC.CC.CC.CC.CCc1ccc(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 5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane?

The InChIKey is BIRGPHFWXTXFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.2C10H15NO.4C9H14N2O.7C2H6/c1-5-10-7-6-9(8-12-10)11(2,3)4;1-10(2,3)9-6-5-8(12-4)7-11-9;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/h6-8H,5H2,1-4H3;2*5-7H,1-4H3;4*5-6H,1-4H3;7*1-2H3.

What are the key properties of 5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane?

5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane has a molecular weight of 1369.12 g/mol, XLogP of 22.03, 7 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane is sourced from PubChem (CID 157361369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).