5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;4-cyclopropyl-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;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole

C₁₄₄H₂₁₆ClN₂₁O₆ — CID 159319534

About 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;4-cyclopropyl-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;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole

5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;4-cyclopropyl-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;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole (PubChem CID 159319534) has the molecular formula C₁₄₄H₂₁₆ClN₂₁O₆ and a molecular weight of 2372.91 g/mol. Its IUPAC name is 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;4-cyclopropyl-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;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole.

Molecular Properties

• Compound Name: 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;4-cyclopropyl-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;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole
• PubChem CID: 159319534
• Molecular Formula: C₁₄₄H₂₁₆ClN₂₁O₆
• Molecular Weight: 2372.91 g/mol
• Exact Mass: 2370.69
• IUPAC Name: 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;4-cyclopropyl-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;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;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)CCOc1nccc(C2CC2)n1.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.Cn1c(CCC(C)(C)C)nc2ccccc21
• InChI: InChI=1S/C14H19N3.C14H20N2.C14H20.C13H20N2O.C13H16N2O.C12H18N2.C11H18N2.C11H20N2.2C11H17NO.C10H15ClN2O.C10H16N2O/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)7-9-16-12-14-8-6-11(15-12)10-4-5-10;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;1-8-6-9(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/h4-5,7,9-11H,6,8H2,1-3H3;5-8H,9-10H2,1-4H3;4-7,11H,8-10H2,1-3H3;6,8,10H,4-5,7,9H2,1-3H3;4-8H,9H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;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
• InChIKey: LDOPWYFQMVVQFO-UHFFFAOYSA-N
• XLogP: 37.17
• TPSA: 306.10 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 30
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2372.91
LogP ≤ 5	37.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;4-cyclopropyl-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;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole?

The IUPAC name of 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;4-cyclopropyl-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;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole (CID 159319534) is 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;4-cyclopropyl-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;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole.

What is the SMILES notation for 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;4-cyclopropyl-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;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole?

The canonical SMILES for 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;4-cyclopropyl-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;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;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)CCOc1nccc(C2CC2)n1.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.Cn1c(CCC(C)(C)C)nc2ccccc21.

What is the InChIKey of 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;4-cyclopropyl-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;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole?

The InChIKey is LDOPWYFQMVVQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.C14H20N2.C14H20.C13H20N2O.C13H16N2O.C12H18N2.C11H18N2.C11H20N2.2C11H17NO.C10H15ClN2O.C10H16N2O/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)7-9-16-12-14-8-6-11(15-12)10-4-5-10;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;1-8-6-9(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/h4-5,7,9-11H,6,8H2,1-3H3;5-8H,9-10H2,1-4H3;4-7,11H,8-10H2,1-3H3;6,8,10H,4-5,7,9H2,1-3H3;4-8H,9H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;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.

What are the key properties of 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;4-cyclopropyl-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;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole?

5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;4-cyclopropyl-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;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole has a molecular weight of 2372.91 g/mol, XLogP of 37.17, 30 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(3,3-dimethylbutoxy)pyrimidine;4-cyclopropyl-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;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole is sourced from PubChem (CID 159319534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159319534 — identifiers, structure, computed properties (public domain)

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