2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine

C₁₁₈H₁₅₂F₂N₁₆O₂ — CID 158827398

About 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine

2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine (PubChem CID 158827398) has the molecular formula C₁₁₈H₁₅₂F₂N₁₆O₂ and a molecular weight of 1864.62 g/mol. Its IUPAC name is 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine.

Molecular Properties

• Compound Name: 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine
• PubChem CID: 158827398
• Molecular Formula: C₁₁₈H₁₅₂F₂N₁₆O₂
• Molecular Weight: 1864.62 g/mol
• Exact Mass: 1863.23
• IUPAC Name: 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine
• SMILES: C.C.C=CCC(C)C.CC(=O)C(C)C.CC(C)C#Cc1ncccn1.CC(C)C1=CCC=C1.CC(C)c1ccc(-c2ncccn2)cc1F.CC(C)c1ncc(-c2ncccn2)cn1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1cnc(-c2ccc(C(C)C)cc2F)nc1.Cc1cnc(C(C)C)nc1.Cc1nnc(-c2ccc(C(C)C)cc2)o1
• InChI: InChI=1S/2C15H17N.C14H15FN2.C13H13FN2.C12H14N2O.C11H12N4.C9H10N2.C8H12N2.C8H12.C6H12.C5H10O.2CH4/c2*1-11(2)13-5-7-14(8-6-13)15-9-4-12(3)10-16-15;1-9(2)11-4-5-12(13(15)6-11)14-16-7-10(3)8-17-14;1-9(2)11-5-4-10(8-12(11)14)13-15-6-3-7-16-13;1-8(2)10-4-6-11(7-5-10)12-14-13-9(3)15-12;1-8(2)10-14-6-9(7-15-10)11-12-4-3-5-13-11;1-8(2)4-5-9-10-6-3-7-11-9;1-6(2)8-9-4-7(3)5-10-8;1-7(2)8-5-3-4-6-8;1-4-5-6(2)3;1-4(2)5(3)6;;/h2*4-11H,1-3H3;4-9H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;3,6-8H,1-2H3;4-6H,1-3H3;3,5-7H,4H2,1-2H3;4,6H,1,5H2,2-3H3;4H,1-3H3;2*1H4
• InChIKey: IWPVQJKHMOKLAN-UHFFFAOYSA-N
• XLogP: 31.35
• TPSA: 236.45 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1864.62
LogP ≤ 5	31.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine?

The IUPAC name of 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine (CID 158827398) is 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine.

What is the SMILES notation for 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine?

The canonical SMILES for 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine is C.C.C=CCC(C)C.CC(=O)C(C)C.CC(C)C#Cc1ncccn1.CC(C)C1=CCC=C1.CC(C)c1ccc(-c2ncccn2)cc1F.CC(C)c1ncc(-c2ncccn2)cn1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1cnc(-c2ccc(C(C)C)cc2F)nc1.Cc1cnc(C(C)C)nc1.Cc1nnc(-c2ccc(C(C)C)cc2)o1.

What is the InChIKey of 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine?

The InChIKey is IWPVQJKHMOKLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H17N.C14H15FN2.C13H13FN2.C12H14N2O.C11H12N4.C9H10N2.C8H12N2.C8H12.C6H12.C5H10O.2CH4/c2*1-11(2)13-5-7-14(8-6-13)15-9-4-12(3)10-16-15;1-9(2)11-4-5-12(13(15)6-11)14-16-7-10(3)8-17-14;1-9(2)11-5-4-10(8-12(11)14)13-15-6-3-7-16-13;1-8(2)10-4-6-11(7-5-10)12-14-13-9(3)15-12;1-8(2)10-14-6-9(7-15-10)11-12-4-3-5-13-11;1-8(2)4-5-9-10-6-3-7-11-9;1-6(2)8-9-4-7(3)5-10-8;1-7(2)8-5-3-4-6-8;1-4-5-6(2)3;1-4(2)5(3)6;;/h2*4-11H,1-3H3;4-9H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;3,6-8H,1-2H3;4-6H,1-3H3;3,5-7H,4H2,1-2H3;4,6H,1,5H2,2-3H3;4H,1-3H3;2*1H4.

What are the key properties of 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine?

2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine has a molecular weight of 1864.62 g/mol, XLogP of 31.35, 17 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;methane;3-methylbutan-2-one;2-(3-methylbut-1-ynyl)pyrimidine;4-methylpent-1-ene;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 158827398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158827398 — identifiers, structure, computed properties (public domain)

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