1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2,2-dimethylhexane;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine

C174H271BrN20O6 — CID 158895216

About 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2,2-dimethylhexane;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine

1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2,2-dimethylhexane;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine (PubChem CID 158895216) has the molecular formula C174H271BrN20O6 and a molecular weight of 2819.12 g/mol. Its IUPAC name is 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2,2-dimethylhexane;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine.

Molecular Properties

• Compound Name: 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2,2-dimethylhexane;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine
• PubChem CID: 158895216
• Molecular Formula: C174H271BrN20O6
• Molecular Weight: 2819.12 g/mol
• Exact Mass: 2816.07
• IUPAC Name: 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2,2-dimethylhexane;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine
• SMILES: CC(C)(C)CCc1ccccc1.CC(C)(C)Cc1cccc(C#N)n1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1Br.CC(C)(C)Cc1ccccc1C1CC1.CC(C)(C)Cc1nccc(C2CC2)n1.CC(C)(C)Cc1nccc(OCC2CC2)n1.CC(C)(C)Cc1ncccn1.CCCCC(C)(C)C.COc1cc(OC)nc(CC(C)(C)C)n1.Cc1cc(C)nc(CC(C)(C)C)n1.Cc1cccc(CCC(C)(C)C)n1.Cc1conc1CC(C)(C)C.Cc1nc(CC(C)(C)C)no1.Cc1noc(CC(C)(C)C)n1.Cn1c(CCC(C)(C)C)nc2ccccc21
• InChI: InChI=1S/C14H20N2.C14H20.C13H20N2O.C12H18N2.C12H19N.C12H18.C11H15Br.C11H18N2O2.C11H18N2.C11H14N2.C11H16.C9H14N2.C9H15NO.2C8H14N2O.C8H18/c1-14(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;1-13(2,3)8-11-14-7-6-12(15-11)16-9-10-4-5-10;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;1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)8-9-6-4-5-7-10(9)12;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-8-6-9(2)13-10(12-8)7-11(3,4)5;1-11(2,3)7-9-5-4-6-10(8-12)13-9;1-11(2,3)9-10-7-5-4-6-8-10;1-9(2,3)7-8-10-5-4-6-11-8;1-7-6-11-10-8(7)5-9(2,3)4;1-6-9-7(10-11-6)5-8(2,3)4;1-6-9-7(11-10-6)5-8(2,3)4;1-5-6-7-8(2,3)4/h5-8H,9-10H2,1-4H3;4-7,11H,8-10H2,1-3H3;6-7,10H,4-5,8-9H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7H,8-9H2,1-4H3;4-8H,9-10H2,1-3H3;4-7H,8H2,1-3H3;6H,7H2,1-5H3;6H,7H2,1-5H3;4-6H,7H2,1-3H3;4-8H,9H2,1-3H3;4-6H,7H2,1-3H3;6H,5H2,1-4H3;2*5H2,1-4H3;5-7H2,1-4H3
• InChIKey: JETCIRHYJOJHRF-UHFFFAOYSA-N
• XLogP: 46.95
• TPSA: 327.85 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2819.12
LogP ≤ 5	46.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2,2-dimethylhexane;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine?

The IUPAC name of 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2,2-dimethylhexane;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine (CID 158895216) is 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2,2-dimethylhexane;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine.

What is the SMILES notation for 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2,2-dimethylhexane;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine?

The canonical SMILES for 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2,2-dimethylhexane;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine is CC(C)(C)CCc1ccccc1.CC(C)(C)Cc1cccc(C#N)n1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1Br.CC(C)(C)Cc1ccccc1C1CC1.CC(C)(C)Cc1nccc(C2CC2)n1.CC(C)(C)Cc1nccc(OCC2CC2)n1.CC(C)(C)Cc1ncccn1.CCCCC(C)(C)C.COc1cc(OC)nc(CC(C)(C)C)n1.Cc1cc(C)nc(CC(C)(C)C)n1.Cc1cccc(CCC(C)(C)C)n1.Cc1conc1CC(C)(C)C.Cc1nc(CC(C)(C)C)no1.Cc1noc(CC(C)(C)C)n1.Cn1c(CCC(C)(C)C)nc2ccccc21.

What is the InChIKey of 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2,2-dimethylhexane;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine?

The InChIKey is JETCIRHYJOJHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C14H20.C13H20N2O.C12H18N2.C12H19N.C12H18.C11H15Br.C11H18N2O2.C11H18N2.C11H14N2.C11H16.C9H14N2.C9H15NO.2C8H14N2O.C8H18/c1-14(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;1-13(2,3)8-11-14-7-6-12(15-11)16-9-10-4-5-10;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;1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)8-9-6-4-5-7-10(9)12;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-8-6-9(2)13-10(12-8)7-11(3,4)5;1-11(2,3)7-9-5-4-6-10(8-12)13-9;1-11(2,3)9-10-7-5-4-6-8-10;1-9(2,3)7-8-10-5-4-6-11-8;1-7-6-11-10-8(7)5-9(2,3)4;1-6-9-7(10-11-6)5-8(2,3)4;1-6-9-7(11-10-6)5-8(2,3)4;1-5-6-7-8(2,3)4/h5-8H,9-10H2,1-4H3;4-7,11H,8-10H2,1-3H3;6-7,10H,4-5,8-9H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7H,8-9H2,1-4H3;4-8H,9-10H2,1-3H3;4-7H,8H2,1-3H3;6H,7H2,1-5H3;6H,7H2,1-5H3;4-6H,7H2,1-3H3;4-8H,9H2,1-3H3;4-6H,7H2,1-3H3;6H,5H2,1-4H3;2*5H2,1-4H3;5-7H2,1-4H3.

What are the key properties of 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2,2-dimethylhexane;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine?

1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2,2-dimethylhexane;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine has a molecular weight of 2819.12 g/mol, XLogP of 46.95, 27 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-(2,2-dimethylpropyl)benzene;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;4-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(3,3-dimethylbutyl)-6-methylpyridine;2,2-dimethylhexane;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;2-(2,2-dimethylpropyl)pyrimidine is sourced from PubChem (CID 158895216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).