2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine

C59H89N15O3S2 — CID 157151265

About 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine

2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine (PubChem CID 157151265) has the molecular formula C59H89N15O3S2 and a molecular weight of 1120.60 g/mol. Its IUPAC name is 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine.

Molecular Properties

• Compound Name: 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine
• PubChem CID: 157151265
• Molecular Formula: C59H89N15O3S2
• Molecular Weight: 1120.60 g/mol
• Exact Mass: 1119.67
• IUPAC Name: 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine
• SMILES: C=C(N)OC.CC1(c2ccccn2)CC1.CC=NOC.CC=NOCC.CCc1ccccn1.CCc1ccnn1C.CCc1cscn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cncnc1.Cc1csc(C)n1
• InChI: InChI=1S/C9H11N.C7H9N.2C6H8N2.C6H10N2.C5H6N2.2C5H7NS.C4H9NO.2C3H7NO/c1-9(5-6-9)8-4-2-3-7-10-8;1-2-7-5-3-4-6-8-7;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-3-6-4-5-7-8(6)2;1-5-2-6-4-7-3-5;1-4-3-7-5(2)6-4;1-2-5-3-7-4-6-5;1-3-5-6-4-2;1-3-4-5-2;1-3(4)5-2/h2-4,7H,5-6H2,1H3;3-6H,2H2,1H3;2*3-4H,1-2H3;4-5H,3H2,1-2H3;2-4H,1H3;3H,1-2H3;3-4H,2H2,1H3;3H,4H2,1-2H3;3H,1-2H3;1,4H2,2H3
• InChIKey: ALGWXBIZYGZAIA-UHFFFAOYSA-N
• XLogP: 12.93
• TPSA: 225.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1120.60
LogP ≤ 5	12.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine?

The IUPAC name of 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine (CID 157151265) is 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine.

What is the SMILES notation for 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine?

The canonical SMILES for 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine is C=C(N)OC.CC1(c2ccccn2)CC1.CC=NOC.CC=NOCC.CCc1ccccn1.CCc1ccnn1C.CCc1cscn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cncnc1.Cc1csc(C)n1.

What is the InChIKey of 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine?

The InChIKey is ALGWXBIZYGZAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C7H9N.2C6H8N2.C6H10N2.C5H6N2.2C5H7NS.C4H9NO.2C3H7NO/c1-9(5-6-9)8-4-2-3-7-10-8;1-2-7-5-3-4-6-8-7;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-3-6-4-5-7-8(6)2;1-5-2-6-4-7-3-5;1-4-3-7-5(2)6-4;1-2-5-3-7-4-6-5;1-3-5-6-4-2;1-3-4-5-2;1-3(4)5-2/h2-4,7H,5-6H2,1H3;3-6H,2H2,1H3;2*3-4H,1-2H3;4-5H,3H2,1-2H3;2-4H,1H3;3H,1-2H3;3-4H,2H2,1H3;3H,4H2,1-2H3;3H,1-2H3;1,4H2,2H3.

What are the key properties of 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine?

2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine has a molecular weight of 1120.60 g/mol, XLogP of 12.93, 8 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine is sourced from PubChem (CID 157151265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).