1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;2-(3,3-dimethylbutyl)-6-methylpyridine;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole

C139H219N19O3 — CID 159181171

About 1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;2-(3,3-dimethylbutyl)-6-methylpyridine;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole

1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;2-(3,3-dimethylbutyl)-6-methylpyridine;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole (PubChem CID 159181171) has the molecular formula C139H219N19O3 and a molecular weight of 2204.41 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;2-(3,3-dimethylbutyl)-6-methylpyridine;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole.

Molecular Properties

• Compound Name: 1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;2-(3,3-dimethylbutyl)-6-methylpyridine;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole
• PubChem CID: 159181171
• Molecular Formula: C139H219N19O3
• Molecular Weight: 2204.41 g/mol
• Exact Mass: 2202.76
• IUPAC Name: 1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;2-(3,3-dimethylbutyl)-6-methylpyridine;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole
• SMILES: CC(C)(C)CCOc1ccccn1.CC(C)(C)CCOc1ccccn1.CC(C)(C)CCn1cc(-c2cccnc2)cn1.CC(C)(C)Cc1ccccc1C1CC1.CC(C)(C)Cc1nccc(C2CC2)n1.Cc1cc(C)n(CCC(C)(C)C)n1.Cc1cc(C)nc(CC(C)(C)C)n1.Cc1cccc(CCC(C)(C)C)n1.Cc1ccn(CCC(C)(C)C)n1.Cc1ccnn1CCC(C)(C)C.Cc1conc1CC(C)(C)C.Cn1c(CCC(C)(C)C)nc2ccccc21
• InChI: InChI=1S/C14H19N3.C14H20N2.C14H20.C12H18N2.C12H19N.C11H18N2.C11H20N2.2C11H17NO.2C10H18N2.C9H15NO/c1-14(2,3)6-8-17-11-13(10-16-17)12-5-4-7-15-9-12;1-14(2,3)10-9-13-15-11-7-5-6-8-12(11)16(13)4;1-14(2,3)10-12-6-4-5-7-13(12)11-8-9-11;1-12(2,3)8-11-13-7-6-10(14-11)9-4-5-9;1-10-6-5-7-11(13-10)8-9-12(2,3)4;1-8-6-9(2)13-10(12-8)7-11(3,4)5;1-9-8-10(2)13(12-9)7-6-11(3,4)5;2*1-11(2,3)7-9-13-10-6-4-5-8-12-10;1-9-5-7-12(11-9)8-6-10(2,3)4;1-9-5-7-11-12(9)8-6-10(2,3)4;1-7-6-11-10-8(7)5-9(2,3)4/h4-5,7,9-11H,6,8H2,1-3H3;5-8H,9-10H2,1-4H3;4-7,11H,8-10H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7H,8-9H2,1-4H3;6H,7H2,1-5H3;8H,6-7H2,1-5H3;2*4-6,8H,7,9H2,1-3H3;2*5,7H,6,8H2,1-4H3;6H,5H2,1-4H3
• InChIKey: KMXHDSIJNHFJBY-UHFFFAOYSA-N
• XLogP: 36.64
• TPSA: 236.71 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2204.41
LogP ≤ 5	36.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;2-(3,3-dimethylbutyl)-6-methylpyridine;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole?

The IUPAC name of 1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;2-(3,3-dimethylbutyl)-6-methylpyridine;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole (CID 159181171) is 1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;2-(3,3-dimethylbutyl)-6-methylpyridine;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole.

What is the SMILES notation for 1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;2-(3,3-dimethylbutyl)-6-methylpyridine;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole?

The canonical SMILES for 1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;2-(3,3-dimethylbutyl)-6-methylpyridine;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole is CC(C)(C)CCOc1ccccn1.CC(C)(C)CCOc1ccccn1.CC(C)(C)CCn1cc(-c2cccnc2)cn1.CC(C)(C)Cc1ccccc1C1CC1.CC(C)(C)Cc1nccc(C2CC2)n1.Cc1cc(C)n(CCC(C)(C)C)n1.Cc1cc(C)nc(CC(C)(C)C)n1.Cc1cccc(CCC(C)(C)C)n1.Cc1ccn(CCC(C)(C)C)n1.Cc1ccnn1CCC(C)(C)C.Cc1conc1CC(C)(C)C.Cn1c(CCC(C)(C)C)nc2ccccc21.

What is the InChIKey of 1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;2-(3,3-dimethylbutyl)-6-methylpyridine;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole?

The InChIKey is KMXHDSIJNHFJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.C14H20N2.C14H20.C12H18N2.C12H19N.C11H18N2.C11H20N2.2C11H17NO.2C10H18N2.C9H15NO/c1-14(2,3)6-8-17-11-13(10-16-17)12-5-4-7-15-9-12;1-14(2,3)10-9-13-15-11-7-5-6-8-12(11)16(13)4;1-14(2,3)10-12-6-4-5-7-13(12)11-8-9-11;1-12(2,3)8-11-13-7-6-10(14-11)9-4-5-9;1-10-6-5-7-11(13-10)8-9-12(2,3)4;1-8-6-9(2)13-10(12-8)7-11(3,4)5;1-9-8-10(2)13(12-9)7-6-11(3,4)5;2*1-11(2,3)7-9-13-10-6-4-5-8-12-10;1-9-5-7-12(11-9)8-6-10(2,3)4;1-9-5-7-11-12(9)8-6-10(2,3)4;1-7-6-11-10-8(7)5-9(2,3)4/h4-5,7,9-11H,6,8H2,1-3H3;5-8H,9-10H2,1-4H3;4-7,11H,8-10H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7H,8-9H2,1-4H3;6H,7H2,1-5H3;8H,6-7H2,1-5H3;2*4-6,8H,7,9H2,1-3H3;2*5,7H,6,8H2,1-4H3;6H,5H2,1-4H3.

What are the key properties of 1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;2-(3,3-dimethylbutyl)-6-methylpyridine;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole?

1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;2-(3,3-dimethylbutyl)-6-methylpyridine;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole has a molecular weight of 2204.41 g/mol, XLogP of 36.64, 25 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;2-(3,3-dimethylbutyl)-6-methylpyridine;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole is sourced from PubChem (CID 159181171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).