4-butoxy-3-methyl-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;3-methyl-4-(1,1,2,2,2-pentafluoroethoxy)-2-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);4-methylsulfanyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine

C127H175F5N18O3S — CID 160983098

About 4-butoxy-3-methyl-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;3-methyl-4-(1,1,2,2,2-pentafluoroethoxy)-2-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);4-methylsulfanyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine

4-butoxy-3-methyl-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;3-methyl-4-(1,1,2,2,2-pentafluoroethoxy)-2-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);4-methylsulfanyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine (PubChem CID 160983098) has the molecular formula C127H175F5N18O3S and a molecular weight of 2128.98 g/mol. Its IUPAC name is 4-butoxy-3-methyl-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;3-methyl-4-(1,1,2,2,2-pentafluoroethoxy)-2-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);4-methylsulfanyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine.

Molecular Properties

• Compound Name: 4-butoxy-3-methyl-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;3-methyl-4-(1,1,2,2,2-pentafluoroethoxy)-2-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);4-methylsulfanyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
• PubChem CID: 160983098
• Molecular Formula: C127H175F5N18O3S
• Molecular Weight: 2128.98 g/mol
• Exact Mass: 2127.37
• IUPAC Name: 4-butoxy-3-methyl-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;3-methyl-4-(1,1,2,2,2-pentafluoroethoxy)-2-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);4-methylsulfanyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
• SMILES: CC(C)c1cccc(-c2ccccc2)n1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1ncccn1.CCCCOc1ccnc(C(C)C)c1C.COc1ccc(C(C)C)nc1.CSc1ccnc(C(C)C)c1.Cc1c(OC(F)(F)C(F)(F)F)ccnc1C(C)C.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1
• InChI: InChI=1S/C14H15N.C13H21NO.C11H12F5NO.C9H13NO.C9H13NS.3C9H13N.2C8H11N.4C7H10N2/c1-11(2)13-9-6-10-14(15-13)12-7-4-3-5-8-12;1-5-6-9-15-12-7-8-14-13(10(2)3)11(12)4;1-6(2)9-7(3)8(4-5-17-9)18-11(15,16)10(12,13)14;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)9-6-8(11-3)4-5-10-9;3*1-7(2)9-6-4-5-8(3)10-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7/h3-11H,1-2H3;7-8,10H,5-6,9H2,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;3*4-7H,1-3H3;2*3-7H,1-2H3;4*3-6H,1-2H3
• InChIKey: SZTRPILMWJJTFF-UHFFFAOYSA-N
• XLogP: 35.10
• TPSA: 259.71 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2128.98
LogP ≤ 5	35.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methyl-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;3-methyl-4-(1,1,2,2,2-pentafluoroethoxy)-2-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);4-methylsulfanyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?

The IUPAC name of 4-butoxy-3-methyl-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;3-methyl-4-(1,1,2,2,2-pentafluoroethoxy)-2-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);4-methylsulfanyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine (CID 160983098) is 4-butoxy-3-methyl-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;3-methyl-4-(1,1,2,2,2-pentafluoroethoxy)-2-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);4-methylsulfanyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine.

What is the SMILES notation for 4-butoxy-3-methyl-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;3-methyl-4-(1,1,2,2,2-pentafluoroethoxy)-2-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);4-methylsulfanyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?

The canonical SMILES for 4-butoxy-3-methyl-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;3-methyl-4-(1,1,2,2,2-pentafluoroethoxy)-2-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);4-methylsulfanyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine is CC(C)c1cccc(-c2ccccc2)n1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1ncccn1.CCCCOc1ccnc(C(C)C)c1C.COc1ccc(C(C)C)nc1.CSc1ccnc(C(C)C)c1.Cc1c(OC(F)(F)C(F)(F)F)ccnc1C(C)C.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.

What is the InChIKey of 4-butoxy-3-methyl-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;3-methyl-4-(1,1,2,2,2-pentafluoroethoxy)-2-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);4-methylsulfanyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?

The InChIKey is SZTRPILMWJJTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C13H21NO.C11H12F5NO.C9H13NO.C9H13NS.3C9H13N.2C8H11N.4C7H10N2/c1-11(2)13-9-6-10-14(15-13)12-7-4-3-5-8-12;1-5-6-9-15-12-7-8-14-13(10(2)3)11(12)4;1-6(2)9-7(3)8(4-5-17-9)18-11(15,16)10(12,13)14;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)9-6-8(11-3)4-5-10-9;3*1-7(2)9-6-4-5-8(3)10-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7/h3-11H,1-2H3;7-8,10H,5-6,9H2,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;3*4-7H,1-3H3;2*3-7H,1-2H3;4*3-6H,1-2H3.

What are the key properties of 4-butoxy-3-methyl-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;3-methyl-4-(1,1,2,2,2-pentafluoroethoxy)-2-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);4-methylsulfanyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?

4-butoxy-3-methyl-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;3-methyl-4-(1,1,2,2,2-pentafluoroethoxy)-2-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);4-methylsulfanyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine has a molecular weight of 2128.98 g/mol, XLogP of 35.10, 23 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-butoxy-3-methyl-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;3-methyl-4-(1,1,2,2,2-pentafluoroethoxy)-2-propan-2-ylpyridine;tris(2-methyl-6-propan-2-ylpyridine);4-methylsulfanyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine is sourced from PubChem (CID 160983098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).