2-tert-butylpyrimidine;1,3-dimethyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrolidine

C79H138N22O — CID 159074760

About 2-tert-butylpyrimidine;1,3-dimethyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrolidine

2-tert-butylpyrimidine;1,3-dimethyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrolidine (PubChem CID 159074760) has the molecular formula C79H138N22O and a molecular weight of 1412.13 g/mol. Its IUPAC name is 2-tert-butylpyrimidine;1,3-dimethyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrolidine.

Molecular Properties

• Compound Name: 2-tert-butylpyrimidine;1,3-dimethyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrolidine
• PubChem CID: 159074760
• Molecular Formula: C79H138N22O
• Molecular Weight: 1412.13 g/mol
• Exact Mass: 1411.14
• IUPAC Name: 2-tert-butylpyrimidine;1,3-dimethyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrolidine
• SMILES: CC(C)(C)c1ncccn1.CC(C)N1CCCC1.CC(C)c1ccnn1C.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.CC(C)c1ncnn1C.CCn1cc(C(C)C)cn1.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)C)n(C)n1.Cc1nn(C)cc1C(C)C.Cc1nnc(C(C)C)o1
• InChI: InChI=1S/3C8H14N2.C8H12N2.C8H14N2.2C7H12N2.C7H15N.C6H11N3.C6H10N2O.C6H10N2/c1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3;1-6(2)8-5-7(3)9-10(8)4;1-8(2,3)7-9-5-4-6-10-7;1-4-10-6-8(5-9-10)7(2)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-8-9(7)3;1-7(2)8-5-3-4-6-8;1-5(2)6-7-4-8-9(6)3;1-4(2)6-8-7-5(3)9-6;1-5(2)6-7-3-4-8-6/h3*5-6H,1-4H3;4-6H,1-3H3;5-7H,4H2,1-3H3;2*4-6H,1-3H3;7H,3-6H2,1-2H3;4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3,(H,7,8)
• InChIKey: KACLPBBUTSUMNY-UHFFFAOYSA-N
• XLogP: 17.91
• TPSA: 234.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1412.13
LogP ≤ 5	17.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpyrimidine;1,3-dimethyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrolidine?

The IUPAC name of 2-tert-butylpyrimidine;1,3-dimethyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrolidine (CID 159074760) is 2-tert-butylpyrimidine;1,3-dimethyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrolidine.

What is the SMILES notation for 2-tert-butylpyrimidine;1,3-dimethyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrolidine?

The canonical SMILES for 2-tert-butylpyrimidine;1,3-dimethyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrolidine is CC(C)(C)c1ncccn1.CC(C)N1CCCC1.CC(C)c1ccnn1C.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.CC(C)c1ncnn1C.CCn1cc(C(C)C)cn1.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)C)n(C)n1.Cc1nn(C)cc1C(C)C.Cc1nnc(C(C)C)o1.

What is the InChIKey of 2-tert-butylpyrimidine;1,3-dimethyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrolidine?

The InChIKey is KACLPBBUTSUMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H14N2.C8H12N2.C8H14N2.2C7H12N2.C7H15N.C6H11N3.C6H10N2O.C6H10N2/c1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3;1-6(2)8-5-7(3)9-10(8)4;1-8(2,3)7-9-5-4-6-10-7;1-4-10-6-8(5-9-10)7(2)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-8-9(7)3;1-7(2)8-5-3-4-6-8;1-5(2)6-7-4-8-9(6)3;1-4(2)6-8-7-5(3)9-6;1-5(2)6-7-3-4-8-6/h3*5-6H,1-4H3;4-6H,1-3H3;5-7H,4H2,1-3H3;2*4-6H,1-3H3;7H,3-6H2,1-2H3;4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3,(H,7,8).

What are the key properties of 2-tert-butylpyrimidine;1,3-dimethyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrolidine?

2-tert-butylpyrimidine;1,3-dimethyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrolidine has a molecular weight of 1412.13 g/mol, XLogP of 17.91, 11 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butylpyrimidine;1,3-dimethyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 159074760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).