2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-ethynylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;3-fluoro-2-(2-methylpropyl)pyridine;3-methoxy-2-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine

C163H245F7N28O6 — CID 159167502

About 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-ethynylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;3-fluoro-2-(2-methylpropyl)pyridine;3-methoxy-2-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine

2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-ethynylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;3-fluoro-2-(2-methylpropyl)pyridine;3-methoxy-2-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine (PubChem CID 159167502) has the molecular formula C163H245F7N28O6 and a molecular weight of 2825.93 g/mol. Its IUPAC name is 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-ethynylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;3-fluoro-2-(2-methylpropyl)pyridine;3-methoxy-2-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine.

Molecular Properties

• Compound Name: 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-ethynylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;3-fluoro-2-(2-methylpropyl)pyridine;3-methoxy-2-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine
• PubChem CID: 159167502
• Molecular Formula: C163H245F7N28O6
• Molecular Weight: 2825.93 g/mol
• Exact Mass: 2823.96
• IUPAC Name: 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-ethynylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;3-fluoro-2-(2-methylpropyl)pyridine;3-methoxy-2-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine
• SMILES: C#Cc1ccnc(CC(C)(C)C)n1.CC(C)(C)Cc1cc(-c2ccccn2)on1.CC(C)(C)Cc1ccc(C(C)(F)F)nc1.CC(C)(C)Cc1cccc(C(C)(F)F)n1.CC(C)(C)Cc1nccc(C(C)(F)F)n1.CC(C)(C)Cc1nccc(N2CCCCC2)n1.CC(C)(C)Cc1nnc(C2CCC2)o1.CC(C)Cc1nccc(N(C)C)n1.CC(C)Cc1ncccc1F.COc1cc(OC)nc(CC(C)(C)C)n1.COc1cccnc1CC(C)C.COc1ccnc(CC(C)(C)C)n1.Cc1ccnc(CC(C)(C)C)n1.Cc1cnc(CC(C)C)cn1.Cc1cncc(CC(C)(C)C)n1
• InChI: InChI=1S/C14H23N3.C13H16N2O.2C12H17F2N.C11H16F2N2.C11H18N2O2.C11H18N2O.C11H14N2.C10H17N3.C10H16N2O.2C10H16N2.C10H15NO.C9H12FN.C9H14N2/c1-14(2,3)11-12-15-8-7-13(16-12)17-9-5-4-6-10-17;1-13(2,3)9-10-8-12(16-15-10)11-6-4-5-7-14-11;1-11(2,3)7-9-5-6-10(15-8-9)12(4,13)14;1-11(2,3)8-9-6-5-7-10(15-9)12(4,13)14;1-10(2,3)7-9-14-6-5-8(15-9)11(4,12)13;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-11(2,3)7-9-12-13-10(14-9)8-5-4-6-8;1-5-9-6-7-12-10(13-9)8-11(2,3)4;1-8(2)7-9-11-6-5-10(12-9)13(3)4;1-10(2,3)7-8-11-6-5-9(12-8)13-4;1-8-6-11-7-9(12-8)5-10(2,3)4;1-8-5-6-11-9(12-8)7-10(2,3)4;1-8(2)7-9-10(12-3)5-4-6-11-9;1-7(2)6-9-8(10)4-3-5-11-9;1-7(2)4-9-6-10-8(3)5-11-9/h7-8H,4-6,9-11H2,1-3H3;4-8H,9H2,1-3H3;5-6,8H,7H2,1-4H3;5-7H,8H2,1-4H3;5-6H,7H2,1-4H3;6H,7H2,1-5H3;8H,4-7H2,1-3H3;1,6-7H,8H2,2-4H3;5-6,8H,7H2,1-4H3;5-6H,7H2,1-4H3;6-7H,5H2,1-4H3;5-6H,7H2,1-4H3;4-6,8H,7H2,1-3H3;3-5,7H,6H2,1-2H3;5-7H,4H2,1-3H3
• InChIKey: KLGKKHFGFYWOFJ-UHFFFAOYSA-N
• XLogP: 39.43
• TPSA: 404.82 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 30
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2825.93
LogP ≤ 5	39.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-ethynylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;3-fluoro-2-(2-methylpropyl)pyridine;3-methoxy-2-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine?

The IUPAC name of 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-ethynylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;3-fluoro-2-(2-methylpropyl)pyridine;3-methoxy-2-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine (CID 159167502) is 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-ethynylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;3-fluoro-2-(2-methylpropyl)pyridine;3-methoxy-2-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine.

What is the SMILES notation for 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-ethynylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;3-fluoro-2-(2-methylpropyl)pyridine;3-methoxy-2-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine?

The canonical SMILES for 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-ethynylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;3-fluoro-2-(2-methylpropyl)pyridine;3-methoxy-2-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine is C#Cc1ccnc(CC(C)(C)C)n1.CC(C)(C)Cc1cc(-c2ccccn2)on1.CC(C)(C)Cc1ccc(C(C)(F)F)nc1.CC(C)(C)Cc1cccc(C(C)(F)F)n1.CC(C)(C)Cc1nccc(C(C)(F)F)n1.CC(C)(C)Cc1nccc(N2CCCCC2)n1.CC(C)(C)Cc1nnc(C2CCC2)o1.CC(C)Cc1nccc(N(C)C)n1.CC(C)Cc1ncccc1F.COc1cc(OC)nc(CC(C)(C)C)n1.COc1cccnc1CC(C)C.COc1ccnc(CC(C)(C)C)n1.Cc1ccnc(CC(C)(C)C)n1.Cc1cnc(CC(C)C)cn1.Cc1cncc(CC(C)(C)C)n1.

What is the InChIKey of 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-ethynylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;3-fluoro-2-(2-methylpropyl)pyridine;3-methoxy-2-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine?

The InChIKey is KLGKKHFGFYWOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3.C13H16N2O.2C12H17F2N.C11H16F2N2.C11H18N2O2.C11H18N2O.C11H14N2.C10H17N3.C10H16N2O.2C10H16N2.C10H15NO.C9H12FN.C9H14N2/c1-14(2,3)11-12-15-8-7-13(16-12)17-9-5-4-6-10-17;1-13(2,3)9-10-8-12(16-15-10)11-6-4-5-7-14-11;1-11(2,3)7-9-5-6-10(15-8-9)12(4,13)14;1-11(2,3)8-9-6-5-7-10(15-9)12(4,13)14;1-10(2,3)7-9-14-6-5-8(15-9)11(4,12)13;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-11(2,3)7-9-12-13-10(14-9)8-5-4-6-8;1-5-9-6-7-12-10(13-9)8-11(2,3)4;1-8(2)7-9-11-6-5-10(12-9)13(3)4;1-10(2,3)7-8-11-6-5-9(12-8)13-4;1-8-6-11-7-9(12-8)5-10(2,3)4;1-8-5-6-11-9(12-8)7-10(2,3)4;1-8(2)7-9-10(12-3)5-4-6-11-9;1-7(2)6-9-8(10)4-3-5-11-9;1-7(2)4-9-6-10-8(3)5-11-9/h7-8H,4-6,9-11H2,1-3H3;4-8H,9H2,1-3H3;5-6,8H,7H2,1-4H3;5-7H,8H2,1-4H3;5-6H,7H2,1-4H3;6H,7H2,1-5H3;8H,4-7H2,1-3H3;1,6-7H,8H2,2-4H3;5-6,8H,7H2,1-4H3;5-6H,7H2,1-4H3;6-7H,5H2,1-4H3;5-6H,7H2,1-4H3;4-6,8H,7H2,1-3H3;3-5,7H,6H2,1-2H3;5-7H,4H2,1-3H3.

What are the key properties of 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-ethynylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;3-fluoro-2-(2-methylpropyl)pyridine;3-methoxy-2-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine?

2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-ethynylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;3-fluoro-2-(2-methylpropyl)pyridine;3-methoxy-2-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine has a molecular weight of 2825.93 g/mol, XLogP of 39.43, 30 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-ethynylpyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;3-fluoro-2-(2-methylpropyl)pyridine;3-methoxy-2-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine is sourced from PubChem (CID 159167502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).