2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;methane;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole

C₁₁₁H₁₈₅N₂₃O₂ — CID 158051701

About 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;methane;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole

2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;methane;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole (PubChem CID 158051701) has the molecular formula C₁₁₁H₁₈₅N₂₃O₂ and a molecular weight of 1873.86 g/mol. Its IUPAC name is 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;methane;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole.

Molecular Properties

• Compound Name: 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;methane;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole
• PubChem CID: 158051701
• Molecular Formula: C₁₁₁H₁₈₅N₂₃O₂
• Molecular Weight: 1873.86 g/mol
• Exact Mass: 1872.51
• IUPAC Name: 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;methane;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole
• SMILES: C.CC(C)(C)Cc1cn2ccccc2n1.CC(C)(C)Cc1cn2ccccc2n1.CC(C)Cc1cn(C)cn1.CC(C)Cc1cnn(C)c1.CC(C)Cc1nccn1C.CCn1ccc(CC(C)C)n1.C[C@H](c1ncccn1)C(C)(C)C.Cc1cnc(CC(C)(C)C)o1.Cc1cnn(CC(C)(C)C)c1.Cc1cnn(CC(C)C)c1.Cc1nnc(CC(C)(C)C)o1.Cn1ccc(CC(C)(C)C)n1
• InChI: InChI=1S/2C12H16N2.C10H16N2.3C9H16N2.C9H15NO.C8H14N2O.4C8H14N2.CH4/c2*1-12(2,3)8-10-9-14-7-5-4-6-11(14)13-10;1-8(10(2,3)4)9-11-6-5-7-12-9;1-8-5-10-11(6-8)7-9(2,3)4;1-9(2,3)7-8-5-6-11(4)10-8;1-4-11-6-5-9(10-11)7-8(2)3;1-7-6-10-8(11-7)5-9(2,3)4;1-6-9-10-7(11-6)5-8(2,3)4;1-7(2)5-10-6-8(3)4-9-10;1-7(2)4-8-5-10(3)6-9-8;1-7(2)4-8-5-9-10(3)6-8;1-7(2)6-8-9-4-5-10(8)3;/h2*4-7,9H,8H2,1-3H3;5-8H,1-4H3;2*5-6H,7H2,1-4H3;5-6,8H,4,7H2,1-3H3;6H,5H2,1-4H3;5H2,1-4H3;4,6-7H,5H2,1-3H3;2*5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;1H4/t;;8-;;;;;;;;;;/m..1........../s1
• InChIKey: FJOGLKQJHPJTGU-KEKGZBPSSA-N
• XLogP: 26.70
• TPSA: 250.07 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1873.86
LogP ≤ 5	26.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;methane;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole?

The IUPAC name of 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;methane;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole (CID 158051701) is 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;methane;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole.

What is the SMILES notation for 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;methane;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole?

The canonical SMILES for 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;methane;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole is C.CC(C)(C)Cc1cn2ccccc2n1.CC(C)(C)Cc1cn2ccccc2n1.CC(C)Cc1cn(C)cn1.CC(C)Cc1cnn(C)c1.CC(C)Cc1nccn1C.CCn1ccc(CC(C)C)n1.C[C@H](c1ncccn1)C(C)(C)C.Cc1cnc(CC(C)(C)C)o1.Cc1cnn(CC(C)(C)C)c1.Cc1cnn(CC(C)C)c1.Cc1nnc(CC(C)(C)C)o1.Cn1ccc(CC(C)(C)C)n1.

What is the InChIKey of 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;methane;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole?

The InChIKey is FJOGLKQJHPJTGU-KEKGZBPSSA-N. The full InChI is InChI=1S/2C12H16N2.C10H16N2.3C9H16N2.C9H15NO.C8H14N2O.4C8H14N2.CH4/c2*1-12(2,3)8-10-9-14-7-5-4-6-11(14)13-10;1-8(10(2,3)4)9-11-6-5-7-12-9;1-8-5-10-11(6-8)7-9(2,3)4;1-9(2,3)7-8-5-6-11(4)10-8;1-4-11-6-5-9(10-11)7-8(2)3;1-7-6-10-8(11-7)5-9(2,3)4;1-6-9-10-7(11-6)5-8(2,3)4;1-7(2)5-10-6-8(3)4-9-10;1-7(2)4-8-5-10(3)6-9-8;1-7(2)4-8-5-9-10(3)6-8;1-7(2)6-8-9-4-5-10(8)3;/h2*4-7,9H,8H2,1-3H3;5-8H,1-4H3;2*5-6H,7H2,1-4H3;5-6,8H,4,7H2,1-3H3;6H,5H2,1-4H3;5H2,1-4H3;4,6-7H,5H2,1-3H3;2*5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;1H4/t;;8-;;;;;;;;;;/m..1........../s1.

What are the key properties of 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;methane;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole?

2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;methane;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole has a molecular weight of 1873.86 g/mol, XLogP of 26.70, 18 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;methane;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole is sourced from PubChem (CID 158051701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158051701 — identifiers, structure, computed properties (public domain)

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