5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;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)-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;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole

C168H258ClN25O8 — CID 159394122

About 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;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)-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;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole

5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;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)-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;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole (PubChem CID 159394122) has the molecular formula C168H258ClN25O8 and a molecular weight of 2791.53 g/mol. Its IUPAC name is 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;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)-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;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole.

Molecular Properties

• Compound Name: 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;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)-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;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole
• PubChem CID: 159394122
• Molecular Formula: C168H258ClN25O8
• Molecular Weight: 2791.53 g/mol
• Exact Mass: 2789.02
• IUPAC Name: 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;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)-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;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole
• SMILES: CC(C)(C)CCOc1ccccn1.CC(C)(C)CCOc1ccccn1.CC(C)(C)CCOc1ncc(Cl)cn1.CC(C)(C)CCOc1ncccn1.CC(C)(C)CCn1cc(-c2cccnc2)cn1.CC(C)(C)Cc1cc(-c2ccccn2)on1.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.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/C14H19N3.C14H20N2.C14H20.C13H16N2O.C12H18N2.C12H19N.C11H18N2.C11H20N2.2C11H17NO.C10H15ClN2O.C10H16N2O.C9H15NO.2C8H14N2O/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;1-13(2,3)9-10-8-12(16-15-10)11-6-4-5-7-14-11;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;1-10(2,3)4-5-14-9-12-6-8(11)7-13-9;1-10(2,3)5-8-13-9-11-6-4-7-12-9;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/h4-5,7,9-11H,6,8H2,1-3H3;5-8H,9-10H2,1-4H3;4-7,11H,8-10H2,1-3H3;4-8H,9H2,1-3H3;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;6-7H,4-5H2,1-3H3;4,6-7H,5,8H2,1-3H3;6H,5H2,1-4H3;2*5H2,1-4H3
• InChIKey: LMMNWJYMZPAFLX-UHFFFAOYSA-N
• XLogP: 43.88
• TPSA: 387.85 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2791.53
LogP ≤ 5	43.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;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)-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;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole?

The IUPAC name of 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;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)-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;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole (CID 159394122) is 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;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)-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;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole.

What is the SMILES notation for 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;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)-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;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole?

The canonical SMILES for 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;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)-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;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole is CC(C)(C)CCOc1ccccn1.CC(C)(C)CCOc1ccccn1.CC(C)(C)CCOc1ncc(Cl)cn1.CC(C)(C)CCOc1ncccn1.CC(C)(C)CCn1cc(-c2cccnc2)cn1.CC(C)(C)Cc1cc(-c2ccccn2)on1.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.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 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;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)-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;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole?

The InChIKey is LMMNWJYMZPAFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.C14H20N2.C14H20.C13H16N2O.C12H18N2.C12H19N.C11H18N2.C11H20N2.2C11H17NO.C10H15ClN2O.C10H16N2O.C9H15NO.2C8H14N2O/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;1-13(2,3)9-10-8-12(16-15-10)11-6-4-5-7-14-11;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;1-10(2,3)4-5-14-9-12-6-8(11)7-13-9;1-10(2,3)5-8-13-9-11-6-4-7-12-9;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/h4-5,7,9-11H,6,8H2,1-3H3;5-8H,9-10H2,1-4H3;4-7,11H,8-10H2,1-3H3;4-8H,9H2,1-3H3;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;6-7H,4-5H2,1-3H3;4,6-7H,5,8H2,1-3H3;6H,5H2,1-4H3;2*5H2,1-4H3.

What are the key properties of 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;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)-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;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole?

5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;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)-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;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole has a molecular weight of 2791.53 g/mol, XLogP of 43.88, 31 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;bis(2-(3,3-dimethylbutoxy)pyridine);2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;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)-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;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole is sourced from PubChem (CID 159394122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).