2,5-dimethylpyrazine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2,4,6-trimethylpyrimidine

C76H98N24O — CID 157300177

About 2,5-dimethylpyrazine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2,4,6-trimethylpyrimidine

2,5-dimethylpyrazine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2,4,6-trimethylpyrimidine (PubChem CID 157300177) has the molecular formula C76H98N24O and a molecular weight of 1363.79 g/mol. Its IUPAC name is 2,5-dimethylpyrazine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2,4,6-trimethylpyrimidine.

Molecular Properties

• Compound Name: 2,5-dimethylpyrazine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2,4,6-trimethylpyrimidine
• PubChem CID: 157300177
• Molecular Formula: C76H98N24O
• Molecular Weight: 1363.79 g/mol
• Exact Mass: 1362.84
• IUPAC Name: 2,5-dimethylpyrazine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2,4,6-trimethylpyrimidine
• SMILES: Cc1cc(C)nc(C)n1.Cc1cc(C)ncn1.Cc1cc[n+]([O-])cc1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1ccncn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1
• InChI: InChI=1S/C7H10N2.C7H9N.6C6H8N2.C6H7NO.4C5H6N2/c1-5-4-6(2)9-7(3)8-5;1-6-3-4-8-7(2)5-6;1-5-3-8-6(2)4-7-5;1-5-3-6(2)8-4-7-5;2*1-5-3-7-6(2)8-4-5;2*1-5-3-4-7-6(2)8-5;1-6-2-4-7(8)5-3-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5/h4H,1-3H3;3-5H,1-2H3;6*3-4H,1-2H3;2-5H,1H3;4*2-4H,1H3
• InChIKey: BBUPDUINUHCYDU-UHFFFAOYSA-N
• XLogP: 13.43
• TPSA: 323.41 Ų
• H-Bond Acceptors: 24
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1363.79
LogP ≤ 5	13.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrazine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2,4,6-trimethylpyrimidine?

The IUPAC name of 2,5-dimethylpyrazine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2,4,6-trimethylpyrimidine (CID 157300177) is 2,5-dimethylpyrazine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2,4,6-trimethylpyrimidine.

What is the SMILES notation for 2,5-dimethylpyrazine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2,4,6-trimethylpyrimidine?

The canonical SMILES for 2,5-dimethylpyrazine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2,4,6-trimethylpyrimidine is Cc1cc(C)nc(C)n1.Cc1cc(C)ncn1.Cc1cc[n+]([O-])cc1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1ccncn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1.

What is the InChIKey of 2,5-dimethylpyrazine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2,4,6-trimethylpyrimidine?

The InChIKey is BBUPDUINUHCYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C7H9N.6C6H8N2.C6H7NO.4C5H6N2/c1-5-4-6(2)9-7(3)8-5;1-6-3-4-8-7(2)5-6;1-5-3-8-6(2)4-7-5;1-5-3-6(2)8-4-7-5;2*1-5-3-7-6(2)8-4-5;2*1-5-3-4-7-6(2)8-5;1-6-2-4-7(8)5-3-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5/h4H,1-3H3;3-5H,1-2H3;6*3-4H,1-2H3;2-5H,1H3;4*2-4H,1H3.

What are the key properties of 2,5-dimethylpyrazine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2,4,6-trimethylpyrimidine?

2,5-dimethylpyrazine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2,4,6-trimethylpyrimidine has a molecular weight of 1363.79 g/mol, XLogP of 13.43, 0 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethylpyrazine;2,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2,4,6-trimethylpyrimidine is sourced from PubChem (CID 157300177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).