2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide

C₄₅H₅₇F₆N₁₁O₄ — CID 158516761

About 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide

2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide (PubChem CID 158516761) has the molecular formula C₄₅H₅₇F₆N₁₁O₄ and a molecular weight of 930.01 g/mol. Its IUPAC name is 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide.

Molecular Properties

• Compound Name: 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide
• PubChem CID: 158516761
• Molecular Formula: C₄₅H₅₇F₆N₁₁O₄
• Molecular Weight: 930.01 g/mol
• Exact Mass: 929.45
• IUPAC Name: 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide
• SMILES: Cc1cc(C(F)(F)F)c(C)cn1.Cc1ccc(C)nc1.Cc1cnc(C)nc1.Cc1cnc(NC(=O)CN2CCOCC2)cc1C(F)(F)F.Cc1cnc(NC(=O)CN2CCOCC2)nc1
• InChI: InChI=1S/C13H16F3N3O2.C11H16N4O2.C8H8F3N.C7H9N.C6H8N2/c1-9-7-17-11(6-10(9)13(14,15)16)18-12(20)8-19-2-4-21-5-3-19;1-9-6-12-11(13-7-9)14-10(16)8-15-2-4-17-5-3-15;1-5-4-12-6(2)3-7(5)8(9,10)11;1-6-3-4-7(2)8-5-6;1-5-3-7-6(2)8-4-5/h6-7H,2-5,8H2,1H3,(H,17,18,20);6-7H,2-5,8H2,1H3,(H,12,13,14,16);3-4H,1-2H3;3-5H,1-2H3;3-4H,1-2H3
• InChIKey: HLSJMKSOCLYDBK-UHFFFAOYSA-N
• XLogP: 7.24
• TPSA: 173.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	930.01
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide?

The IUPAC name of 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide (CID 158516761) is 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide.

What is the SMILES notation for 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide?

The canonical SMILES for 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide is Cc1cc(C(F)(F)F)c(C)cn1.Cc1ccc(C)nc1.Cc1cnc(C)nc1.Cc1cnc(NC(=O)CN2CCOCC2)cc1C(F)(F)F.Cc1cnc(NC(=O)CN2CCOCC2)nc1.

What is the InChIKey of 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide?

The InChIKey is HLSJMKSOCLYDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2.C11H16N4O2.C8H8F3N.C7H9N.C6H8N2/c1-9-7-17-11(6-10(9)13(14,15)16)18-12(20)8-19-2-4-21-5-3-19;1-9-6-12-11(13-7-9)14-10(16)8-15-2-4-17-5-3-15;1-5-4-12-6(2)3-7(5)8(9,10)11;1-6-3-4-7(2)8-5-6;1-5-3-7-6(2)8-4-5/h6-7H,2-5,8H2,1H3,(H,17,18,20);6-7H,2-5,8H2,1H3,(H,12,13,14,16);3-4H,1-2H3;3-5H,1-2H3;3-4H,1-2H3.

What are the key properties of 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide?

2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide has a molecular weight of 930.01 g/mol, XLogP of 7.24, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 158516761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158516761 — identifiers, structure, computed properties (public domain)

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