1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine

C116H161F9N17O7+ — CID 157288646

About 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine

1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 157288646) has the molecular formula C116H161F9N17O7+ and a molecular weight of 2076.66 g/mol. Its IUPAC name is 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

• Compound Name: 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
• PubChem CID: 157288646
• Molecular Formula: C116H161F9N17O7+
• Molecular Weight: 2076.66 g/mol
• Exact Mass: 2075.26
• IUPAC Name: 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
• SMILES: CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(=O)n(C(F)(F)F)c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C2CC2)c1.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1.Cc1cc(=O)c(C(C)C)c[nH]1.Cc1cc(C)c(C(C)C)cn1.Cc1ccc(C(C)C)c(=O)[nH]1.Cc1ccc(C(C)C)c[n+]1C.Cc1cnc(C(C)C)cn1.Cc1ncc(C(C)C)cc1O.Cc1ncc(C(C)C)cn1
• InChI: InChI=1S/C11H15NO.C10H15N.C10H16N.C9H10F3NO.4C9H13NO.2C8H9F3N2.2C8H12N2.C8H11NO/c1-8(2)9-3-6-11(13)12(7-9)10-4-5-10;1-7(2)10-6-11-9(4)5-8(10)3;1-8(2)10-6-5-9(3)11(4)7-10;1-6(2)7-3-4-8(14)13(5-7)9(10,11)12;1-6(2)8-4-9(11)7(3)10-5-8;1-6(2)8-5-10-7(3)4-9(8)11;1-7(2)8-4-5-9(11)10(3)6-8;1-6(2)8-5-4-7(3)10-9(8)11;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;1-6(2)7-3-4-8(10)9-5-7/h3,6-8,10H,4-5H2,1-2H3;5-7H,1-4H3;5-8H,1-4H3;3-6H,1-2H3;4-6,11H,1-3H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3;4-6H,1-3H3,(H,10,11);2*3-5H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3,(H,9,10)/q;;+1
• InChIKey: BANMSYLFWBDKMX-UHFFFAOYSA-N
• XLogP: 27.41
• TPSA: 317.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2076.66
LogP ≤ 5	27.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?

The IUPAC name of 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine (CID 157288646) is 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine.

What is the SMILES notation for 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?

The canonical SMILES for 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine is CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(=O)n(C(F)(F)F)c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C2CC2)c1.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1.Cc1cc(=O)c(C(C)C)c[nH]1.Cc1cc(C)c(C(C)C)cn1.Cc1ccc(C(C)C)c(=O)[nH]1.Cc1ccc(C(C)C)c[n+]1C.Cc1cnc(C(C)C)cn1.Cc1ncc(C(C)C)cc1O.Cc1ncc(C(C)C)cn1.

What is the InChIKey of 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?

The InChIKey is BANMSYLFWBDKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C10H15N.C10H16N.C9H10F3NO.4C9H13NO.2C8H9F3N2.2C8H12N2.C8H11NO/c1-8(2)9-3-6-11(13)12(7-9)10-4-5-10;1-7(2)10-6-11-9(4)5-8(10)3;1-8(2)10-6-5-9(3)11(4)7-10;1-6(2)7-3-4-8(14)13(5-7)9(10,11)12;1-6(2)8-4-9(11)7(3)10-5-8;1-6(2)8-5-10-7(3)4-9(8)11;1-7(2)8-4-5-9(11)10(3)6-8;1-6(2)8-5-4-7(3)10-9(8)11;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;1-6(2)7-3-4-8(10)9-5-7/h3,6-8,10H,4-5H2,1-2H3;5-7H,1-4H3;5-8H,1-4H3;3-6H,1-2H3;4-6,11H,1-3H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3;4-6H,1-3H3,(H,10,11);2*3-5H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3,(H,9,10)/q;;+1;;;;;;;;;;.

What are the key properties of 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?

1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 2076.66 g/mol, XLogP of 27.41, 14 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 157288646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).