5-bromo-2-propan-2-ylpyrimidine;5-ethenyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;methane;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;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);molecular hydrogen;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;3-propan-2-ylthiophene

C135H188BrFN18O2S — CID 161464515

About 5-bromo-2-propan-2-ylpyrimidine;5-ethenyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;methane;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;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);molecular hydrogen;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;3-propan-2-ylthiophene

5-bromo-2-propan-2-ylpyrimidine;5-ethenyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;methane;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;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);molecular hydrogen;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;3-propan-2-ylthiophene (PubChem CID 161464515) has the molecular formula C135H188BrFN18O2S and a molecular weight of 2226.08 g/mol. Its IUPAC name is 5-bromo-2-propan-2-ylpyrimidine;5-ethenyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;methane;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;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);molecular hydrogen;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;3-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 5-bromo-2-propan-2-ylpyrimidine;5-ethenyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;methane;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;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);molecular hydrogen;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;3-propan-2-ylthiophene
• PubChem CID: 161464515
• Molecular Formula: C135H188BrFN18O2S
• Molecular Weight: 2226.08 g/mol
• Exact Mass: 2223.41
• IUPAC Name: 5-bromo-2-propan-2-ylpyrimidine;5-ethenyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;methane;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;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);molecular hydrogen;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;3-propan-2-ylthiophene
• SMILES: C.C.C.C.C.C=CCC(C)C.C=Cc1cnc(C(C)C)nc1.CC(=O)C(C)C.CC(C)C#Cc1ccccc1.CC(C)C#Cc1ncccn1.CC(C)c1ccc(-c2ncccn2)cn1.CC(C)c1ccccn1.CC(C)c1ccsc1.CC(C)c1ncc(Br)cn1.CC(C)c1ncc(F)cn1.CC(C)c1ncccn1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1nnc(-c2ccc(C(C)C)cc2)o1.[H][H]
• InChI: InChI=1S/2C15H17N.C12H13N3.C12H14N2O.C11H12.C9H10N2.C9H12N2.C8H11N.C7H9BrN2.C7H9FN2.C7H10N2.C7H10S.C6H12.C5H10O.5CH4.H2/c2*1-11(2)13-5-7-14(8-6-13)15-9-4-12(3)10-16-15;1-9(2)11-5-4-10(8-15-11)12-13-6-3-7-14-12;1-8(2)10-4-6-11(7-5-10)12-14-13-9(3)15-12;1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)4-5-9-10-6-3-7-11-9;1-4-8-5-10-9(7(2)3)11-6-8;1-7(2)8-5-3-4-6-9-8;2*1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-4-5-6(2)3;1-4(2)5(3)6;;;;;;/h2*4-11H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3-7,10H,1-2H3;3,6-8H,1-2H3;4-7H,1H2,2-3H3;3-7H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;4,6H,1,5H2,2-3H3;4H,1-3H3;5*1H4;1H
• InChIKey: WCGCELALLGTOTF-UHFFFAOYSA-N
• XLogP: 38.27
• TPSA: 262.23 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2226.08
LogP ≤ 5	38.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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 5-bromo-2-propan-2-ylpyrimidine;5-ethenyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;methane;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;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);molecular hydrogen;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;3-propan-2-ylthiophene?

The IUPAC name of 5-bromo-2-propan-2-ylpyrimidine;5-ethenyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;methane;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;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);molecular hydrogen;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;3-propan-2-ylthiophene (CID 161464515) is 5-bromo-2-propan-2-ylpyrimidine;5-ethenyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;methane;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;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);molecular hydrogen;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;3-propan-2-ylthiophene.

What is the SMILES notation for 5-bromo-2-propan-2-ylpyrimidine;5-ethenyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;methane;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;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);molecular hydrogen;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;3-propan-2-ylthiophene?

The canonical SMILES for 5-bromo-2-propan-2-ylpyrimidine;5-ethenyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;methane;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;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);molecular hydrogen;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;3-propan-2-ylthiophene is C.C.C.C.C.C=CCC(C)C.C=Cc1cnc(C(C)C)nc1.CC(=O)C(C)C.CC(C)C#Cc1ccccc1.CC(C)C#Cc1ncccn1.CC(C)c1ccc(-c2ncccn2)cn1.CC(C)c1ccccn1.CC(C)c1ccsc1.CC(C)c1ncc(Br)cn1.CC(C)c1ncc(F)cn1.CC(C)c1ncccn1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1nnc(-c2ccc(C(C)C)cc2)o1.[H][H].

What is the InChIKey of 5-bromo-2-propan-2-ylpyrimidine;5-ethenyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;methane;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;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);molecular hydrogen;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;3-propan-2-ylthiophene?

The InChIKey is WCGCELALLGTOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H17N.C12H13N3.C12H14N2O.C11H12.C9H10N2.C9H12N2.C8H11N.C7H9BrN2.C7H9FN2.C7H10N2.C7H10S.C6H12.C5H10O.5CH4.H2/c2*1-11(2)13-5-7-14(8-6-13)15-9-4-12(3)10-16-15;1-9(2)11-5-4-10(8-15-11)12-13-6-3-7-14-12;1-8(2)10-4-6-11(7-5-10)12-14-13-9(3)15-12;1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)4-5-9-10-6-3-7-11-9;1-4-8-5-10-9(7(2)3)11-6-8;1-7(2)8-5-3-4-6-9-8;2*1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-4-5-6(2)3;1-4(2)5(3)6;;;;;;/h2*4-11H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3-7,10H,1-2H3;3,6-8H,1-2H3;4-7H,1H2,2-3H3;3-7H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;4,6H,1,5H2,2-3H3;4H,1-3H3;5*1H4;1H.

What are the key properties of 5-bromo-2-propan-2-ylpyrimidine;5-ethenyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;methane;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;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);molecular hydrogen;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;3-propan-2-ylthiophene?

5-bromo-2-propan-2-ylpyrimidine;5-ethenyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;methane;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;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);molecular hydrogen;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;3-propan-2-ylthiophene has a molecular weight of 2226.08 g/mol, XLogP of 38.27, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-propan-2-ylpyrimidine;5-ethenyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;methane;3-methylbutan-2-one;3-methylbut-1-ynylbenzene;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);molecular hydrogen;2-propan-2-ylpyridine;2-(6-propan-2-yl-3-pyridinyl)pyrimidine;2-propan-2-ylpyrimidine;3-propan-2-ylthiophene is sourced from PubChem (CID 161464515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).