cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2-ethoxy-4-propan-2-ylpyrimidine;N-ethyl-6-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;methane;2-(2-methoxyethoxy)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;4-propan-2-yl-2-propan-2-yloxypyrimidine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole

C113H180FN15O7S — CID 161494030

About cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2-ethoxy-4-propan-2-ylpyrimidine;N-ethyl-6-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;methane;2-(2-methoxyethoxy)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;4-propan-2-yl-2-propan-2-yloxypyrimidine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole

cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2-ethoxy-4-propan-2-ylpyrimidine;N-ethyl-6-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;methane;2-(2-methoxyethoxy)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;4-propan-2-yl-2-propan-2-yloxypyrimidine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole (PubChem CID 161494030) has the molecular formula C113H180FN15O7S and a molecular weight of 1911.85 g/mol. Its IUPAC name is cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2-ethoxy-4-propan-2-ylpyrimidine;N-ethyl-6-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;methane;2-(2-methoxyethoxy)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;4-propan-2-yl-2-propan-2-yloxypyrimidine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole.

Molecular Properties

• Compound Name: cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2-ethoxy-4-propan-2-ylpyrimidine;N-ethyl-6-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;methane;2-(2-methoxyethoxy)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;4-propan-2-yl-2-propan-2-yloxypyrimidine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole
• PubChem CID: 161494030
• Molecular Formula: C113H180FN15O7S
• Molecular Weight: 1911.85 g/mol
• Exact Mass: 1910.39
• IUPAC Name: cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2-ethoxy-4-propan-2-ylpyrimidine;N-ethyl-6-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;methane;2-(2-methoxyethoxy)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;4-propan-2-yl-2-propan-2-yloxypyrimidine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole
• SMILES: C.C.C.C.C.C.C.C.CC(C)Oc1nccc(C(C)C)n1.CC(C)c1cc(-c2cnco2)ccn1.CC(C)c1cccc(-c2cnco2)n1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CCNc1cccc(C(C)C)n1.CCOc1nccc(C(C)C)n1.COCCOc1nccc(C(C)C)n1.COc1nccc(C(C)C)n1.Cc1cccc(C(C)C)c1.Cc1nc(C(C)C)sc1C
• InChI: InChI=1S/2C11H12N2O.C10H16N2O2.C10H16N2O.C10H16N2.C10H14.C9H11F.C9H14N2O.C9H12.C8H12N2O.C8H13NS.8CH4/c1-8(2)10-5-9(3-4-13-10)11-6-12-7-14-11;1-8(2)9-4-3-5-10(13-9)11-6-12-7-14-11;1-8(2)9-4-5-11-10(12-9)14-7-6-13-3;1-7(2)9-5-6-11-10(12-9)13-8(3)4;1-4-11-10-7-5-6-9(12-10)8(2)3;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-3-5-9(10)6-8;1-4-12-9-10-6-5-8(11-9)7(2)3;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-5-9-8(10-7)11-3;1-5(2)8-9-6(3)7(4)10-8;;;;;;;;/h2*3-8H,1-2H3;4-5,8H,6-7H2,1-3H3;5-8H,1-4H3;5-8H,4H2,1-3H3,(H,11,12);4-8H,1-3H3;3-7H,1-2H3;5-7H,4H2,1-3H3;3-8H,1-2H3;4-6H,1-3H3;5H,1-4H3;8*1H4
• InChIKey: WFYUHKIEUBORAF-UHFFFAOYSA-N
• XLogP: 32.83
• TPSA: 264.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1911.85
LogP ≤ 5	32.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2-ethoxy-4-propan-2-ylpyrimidine;N-ethyl-6-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;methane;2-(2-methoxyethoxy)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;4-propan-2-yl-2-propan-2-yloxypyrimidine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole?

The IUPAC name of cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2-ethoxy-4-propan-2-ylpyrimidine;N-ethyl-6-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;methane;2-(2-methoxyethoxy)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;4-propan-2-yl-2-propan-2-yloxypyrimidine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole (CID 161494030) is cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2-ethoxy-4-propan-2-ylpyrimidine;N-ethyl-6-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;methane;2-(2-methoxyethoxy)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;4-propan-2-yl-2-propan-2-yloxypyrimidine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole.

What is the SMILES notation for cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2-ethoxy-4-propan-2-ylpyrimidine;N-ethyl-6-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;methane;2-(2-methoxyethoxy)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;4-propan-2-yl-2-propan-2-yloxypyrimidine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole?

The canonical SMILES for cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2-ethoxy-4-propan-2-ylpyrimidine;N-ethyl-6-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;methane;2-(2-methoxyethoxy)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;4-propan-2-yl-2-propan-2-yloxypyrimidine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole is C.C.C.C.C.C.C.C.CC(C)Oc1nccc(C(C)C)n1.CC(C)c1cc(-c2cnco2)ccn1.CC(C)c1cccc(-c2cnco2)n1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CCNc1cccc(C(C)C)n1.CCOc1nccc(C(C)C)n1.COCCOc1nccc(C(C)C)n1.COc1nccc(C(C)C)n1.Cc1cccc(C(C)C)c1.Cc1nc(C(C)C)sc1C.

What is the InChIKey of cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2-ethoxy-4-propan-2-ylpyrimidine;N-ethyl-6-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;methane;2-(2-methoxyethoxy)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;4-propan-2-yl-2-propan-2-yloxypyrimidine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole?

The InChIKey is WFYUHKIEUBORAF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12N2O.C10H16N2O2.C10H16N2O.C10H16N2.C10H14.C9H11F.C9H14N2O.C9H12.C8H12N2O.C8H13NS.8CH4/c1-8(2)10-5-9(3-4-13-10)11-6-12-7-14-11;1-8(2)9-4-3-5-10(13-9)11-6-12-7-14-11;1-8(2)9-4-5-11-10(12-9)14-7-6-13-3;1-7(2)9-5-6-11-10(12-9)13-8(3)4;1-4-11-10-7-5-6-9(12-10)8(2)3;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-3-5-9(10)6-8;1-4-12-9-10-6-5-8(11-9)7(2)3;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-5-9-8(10-7)11-3;1-5(2)8-9-6(3)7(4)10-8;;;;;;;;/h2*3-8H,1-2H3;4-5,8H,6-7H2,1-3H3;5-8H,1-4H3;5-8H,4H2,1-3H3,(H,11,12);4-8H,1-3H3;3-7H,1-2H3;5-7H,4H2,1-3H3;3-8H,1-2H3;4-6H,1-3H3;5H,1-4H3;8*1H4.

What are the key properties of cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2-ethoxy-4-propan-2-ylpyrimidine;N-ethyl-6-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;methane;2-(2-methoxyethoxy)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;4-propan-2-yl-2-propan-2-yloxypyrimidine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole?

cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2-ethoxy-4-propan-2-ylpyrimidine;N-ethyl-6-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;methane;2-(2-methoxyethoxy)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;4-propan-2-yl-2-propan-2-yloxypyrimidine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole has a molecular weight of 1911.85 g/mol, XLogP of 32.83, 24 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2-ethoxy-4-propan-2-ylpyrimidine;N-ethyl-6-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;methane;2-(2-methoxyethoxy)-4-propan-2-ylpyrimidine;2-methoxy-4-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;4-propan-2-yl-2-propan-2-yloxypyrimidine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole is sourced from PubChem (CID 161494030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).