2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;bis(2,4,5,6-tetramethylpyrimidine);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,4,6-trimethyl-1,3,5-triazine

C60H90N14OS — CID 159296094

About 2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;bis(2,4,5,6-tetramethylpyrimidine);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,4,6-trimethyl-1,3,5-triazine

2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;bis(2,4,5,6-tetramethylpyrimidine);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,4,6-trimethyl-1,3,5-triazine (PubChem CID 159296094) has the molecular formula C60H90N14OS and a molecular weight of 1055.54 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;bis(2,4,5,6-tetramethylpyrimidine);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,4,6-trimethyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;bis(2,4,5,6-tetramethylpyrimidine);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,4,6-trimethyl-1,3,5-triazine
• PubChem CID: 159296094
• Molecular Formula: C60H90N14OS
• Molecular Weight: 1055.54 g/mol
• Exact Mass: 1054.71
• IUPAC Name: 2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;bis(2,4,5,6-tetramethylpyrimidine);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,4,6-trimethyl-1,3,5-triazine
• SMILES: Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)n1.Cc1nc(C)c(C)c(C)n1.Cc1nc(C)c(C)nc1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)nc(C)n1.Cc1nnc(C)c(C)c1C
• InChI: InChI=1S/C10H15N.4C8H12N2.C6H9N3.C6H9NO.C6H9NS/c1-6-7(2)9(4)11-10(5)8(6)3;1-5-6(2)10-8(4)7(3)9-5;2*1-5-6(2)9-8(4)10-7(5)3;1-5-6(2)8(4)10-9-7(5)3;1-4-7-5(2)9-6(3)8-4;2*1-4-5(2)8-6(3)7-4/h1-5H3;4*1-4H3;1-3H3;2*1-3H3
• InChIKey: LASWMJGYEQXMRN-UHFFFAOYSA-N
• XLogP: 13.93
• TPSA: 193.60 Ų
• H-Bond Acceptors: 16
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1055.54
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;bis(2,4,5,6-tetramethylpyrimidine);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,4,6-trimethyl-1,3,5-triazine?

The IUPAC name of 2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;bis(2,4,5,6-tetramethylpyrimidine);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,4,6-trimethyl-1,3,5-triazine (CID 159296094) is 2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;bis(2,4,5,6-tetramethylpyrimidine);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,4,6-trimethyl-1,3,5-triazine.

What is the SMILES notation for 2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;bis(2,4,5,6-tetramethylpyrimidine);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,4,6-trimethyl-1,3,5-triazine?

The canonical SMILES for 2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;bis(2,4,5,6-tetramethylpyrimidine);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,4,6-trimethyl-1,3,5-triazine is Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)c(C)n1.Cc1nc(C)c(C)c(C)n1.Cc1nc(C)c(C)nc1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)nc(C)n1.Cc1nnc(C)c(C)c1C.

What is the InChIKey of 2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;bis(2,4,5,6-tetramethylpyrimidine);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,4,6-trimethyl-1,3,5-triazine?

The InChIKey is LASWMJGYEQXMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.4C8H12N2.C6H9N3.C6H9NO.C6H9NS/c1-6-7(2)9(4)11-10(5)8(6)3;1-5-6(2)10-8(4)7(3)9-5;2*1-5-6(2)9-8(4)10-7(5)3;1-5-6(2)8(4)10-9-7(5)3;1-4-7-5(2)9-6(3)8-4;2*1-4-5(2)8-6(3)7-4/h1-5H3;4*1-4H3;1-3H3;2*1-3H3.

What are the key properties of 2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;bis(2,4,5,6-tetramethylpyrimidine);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,4,6-trimethyl-1,3,5-triazine?

2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;bis(2,4,5,6-tetramethylpyrimidine);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,4,6-trimethyl-1,3,5-triazine has a molecular weight of 1055.54 g/mol, XLogP of 13.93, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;bis(2,4,5,6-tetramethylpyrimidine);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,4,6-trimethyl-1,3,5-triazine is sourced from PubChem (CID 159296094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).