2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyrimidine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)quinoline

C73H112N12O — CID 159124122

About 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyrimidine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)quinoline

2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyrimidine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)quinoline (PubChem CID 159124122) has the molecular formula C73H112N12O and a molecular weight of 1173.78 g/mol. Its IUPAC name is 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyrimidine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)quinoline.

Molecular Properties

• Compound Name: 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyrimidine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)quinoline
• PubChem CID: 159124122
• Molecular Formula: C73H112N12O
• Molecular Weight: 1173.78 g/mol
• Exact Mass: 1172.91
• IUPAC Name: 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyrimidine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)quinoline
• SMILES: CC(C)(C)CCc1ncccn1.CC(C)(C)CCn1cccn1.CC(C)(C)Cc1ccc2ccccc2n1.CC(C)(C)Cc1cn2ccccc2n1.C[C@H](c1ncccn1)C(C)(C)C.Cc1cnc(CC(C)(C)C)o1.Cn1ccc(CC(C)(C)C)n1
• InChI: InChI=1S/C14H17N.C12H16N2.2C10H16N2.2C9H16N2.C9H15NO/c1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)15-12;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;1-10(2,3)6-5-9-11-7-4-8-12-9;1-9(2,3)7-8-5-6-11(4)10-8;1-9(2,3)5-8-11-7-4-6-10-11;1-7-6-10-8(11-7)5-9(2,3)4/h4-9H,10H2,1-3H3;4-7,9H,8H2,1-3H3;5-8H,1-4H3;4,7-8H,5-6H2,1-3H3;5-6H,7H2,1-4H3;4,6-7H,5,8H2,1-3H3;6H,5H2,1-4H3/t;;8-;;;;/m..1..../s1
• InChIKey: KGBLQMLOVCIWGI-YOANBVJESA-N
• XLogP: 18.73
• TPSA: 143.42 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1173.78
LogP ≤ 5	18.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyrimidine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)quinoline?

The IUPAC name of 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyrimidine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)quinoline (CID 159124122) is 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyrimidine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)quinoline.

What is the SMILES notation for 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyrimidine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)quinoline?

The canonical SMILES for 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyrimidine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)quinoline is CC(C)(C)CCc1ncccn1.CC(C)(C)CCn1cccn1.CC(C)(C)Cc1ccc2ccccc2n1.CC(C)(C)Cc1cn2ccccc2n1.C[C@H](c1ncccn1)C(C)(C)C.Cc1cnc(CC(C)(C)C)o1.Cn1ccc(CC(C)(C)C)n1.

What is the InChIKey of 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyrimidine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)quinoline?

The InChIKey is KGBLQMLOVCIWGI-YOANBVJESA-N. The full InChI is InChI=1S/C14H17N.C12H16N2.2C10H16N2.2C9H16N2.C9H15NO/c1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)15-12;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;1-10(2,3)6-5-9-11-7-4-8-12-9;1-9(2,3)7-8-5-6-11(4)10-8;1-9(2,3)5-8-11-7-4-6-10-11;1-7-6-10-8(11-7)5-9(2,3)4/h4-9H,10H2,1-3H3;4-7,9H,8H2,1-3H3;5-8H,1-4H3;4,7-8H,5-6H2,1-3H3;5-6H,7H2,1-4H3;4,6-7H,5,8H2,1-3H3;6H,5H2,1-4H3/t;;8-;;;;/m..1..../s1.

What are the key properties of 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyrimidine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)quinoline?

2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyrimidine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)quinoline has a molecular weight of 1173.78 g/mol, XLogP of 18.73, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;1-(3,3-dimethylbutyl)pyrazole;2-(3,3-dimethylbutyl)pyrimidine;2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)quinoline is sourced from PubChem (CID 159124122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).