2-tert-butyl-5-propan-2-ylpyrazine;3-tert-butyl-6-propan-2-ylpyridazine;2-tert-butyl-5-propan-2-ylpyridine;2-tert-butyl-5-propan-2-ylpyrimidine;3-tert-butyl-6-propan-2-yl-1,2,4-triazine;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;2,4-ditert-butyl-1,3,5-triazine;3,5-ditert-butyl-1,2,4-triazine;2,6-dimethylpyridine

C133H218N24 — CID 162151116

About 2-tert-butyl-5-propan-2-ylpyrazine;3-tert-butyl-6-propan-2-ylpyridazine;2-tert-butyl-5-propan-2-ylpyridine;2-tert-butyl-5-propan-2-ylpyrimidine;3-tert-butyl-6-propan-2-yl-1,2,4-triazine;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;2,4-ditert-butyl-1,3,5-triazine;3,5-ditert-butyl-1,2,4-triazine;2,6-dimethylpyridine

2-tert-butyl-5-propan-2-ylpyrazine;3-tert-butyl-6-propan-2-ylpyridazine;2-tert-butyl-5-propan-2-ylpyridine;2-tert-butyl-5-propan-2-ylpyrimidine;3-tert-butyl-6-propan-2-yl-1,2,4-triazine;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;2,4-ditert-butyl-1,3,5-triazine;3,5-ditert-butyl-1,2,4-triazine;2,6-dimethylpyridine (PubChem CID 162151116) has the molecular formula C133H218N24 and a molecular weight of 2153.37 g/mol. Its IUPAC name is 2-tert-butyl-5-propan-2-ylpyrazine;3-tert-butyl-6-propan-2-ylpyridazine;2-tert-butyl-5-propan-2-ylpyridine;2-tert-butyl-5-propan-2-ylpyrimidine;3-tert-butyl-6-propan-2-yl-1,2,4-triazine;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;2,4-ditert-butyl-1,3,5-triazine;3,5-ditert-butyl-1,2,4-triazine;2,6-dimethylpyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-5-propan-2-ylpyrazine;3-tert-butyl-6-propan-2-ylpyridazine;2-tert-butyl-5-propan-2-ylpyridine;2-tert-butyl-5-propan-2-ylpyrimidine;3-tert-butyl-6-propan-2-yl-1,2,4-triazine;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;2,4-ditert-butyl-1,3,5-triazine;3,5-ditert-butyl-1,2,4-triazine;2,6-dimethylpyridine
• PubChem CID: 162151116
• Molecular Formula: C133H218N24
• Molecular Weight: 2153.37 g/mol
• Exact Mass: 2151.78
• IUPAC Name: 2-tert-butyl-5-propan-2-ylpyrazine;3-tert-butyl-6-propan-2-ylpyridazine;2-tert-butyl-5-propan-2-ylpyridine;2-tert-butyl-5-propan-2-ylpyrimidine;3-tert-butyl-6-propan-2-yl-1,2,4-triazine;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;2,4-ditert-butyl-1,3,5-triazine;3,5-ditert-butyl-1,2,4-triazine;2,6-dimethylpyridine
• SMILES: CC(C)(C)c1cc(C(C)(C)C)ncn1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1ccnc(C(C)(C)C)n1.CC(C)(C)c1cnnc(C(C)(C)C)c1.CC(C)(C)c1cnnc(C(C)(C)C)n1.CC(C)(C)c1ncnc(C(C)(C)C)n1.CC(C)c1ccc(C(C)(C)C)nc1.CC(C)c1ccc(C(C)(C)C)nn1.CC(C)c1cnc(C(C)(C)C)cn1.CC(C)c1cnc(C(C)(C)C)nc1.CC(C)c1cnc(C(C)(C)C)nn1.Cc1cccc(C)n1
• InChI: InChI=1S/C13H21N.3C12H20N2.C12H19N.2C11H19N3.3C11H18N2.C10H17N3.C7H9N/c1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;1-11(2,3)9-7-10(12(4,5)6)14-8-13-9;1-11(2,3)9-7-10(12(4,5)6)14-13-8-9;1-11(2,3)9-7-8-13-10(14-9)12(4,5)6;1-9(2)10-6-7-11(13-8-10)12(3,4)5;1-10(2,3)8-12-7-13-9(14-8)11(4,5)6;1-10(2,3)8-7-12-14-9(13-8)11(4,5)6;1-8(2)9-6-13-10(7-12-9)11(3,4)5;1-8(2)9-6-12-10(13-7-9)11(3,4)5;1-8(2)9-6-7-10(13-12-9)11(3,4)5;1-7(2)8-6-11-9(13-12-8)10(3,4)5;1-6-4-3-5-7(2)8-6/h7-9H,1-6H3;3*7-8H,1-6H3;6-9H,1-5H3;2*7H,1-6H3;3*6-8H,1-5H3;6-7H,1-5H3;3-5H,1-2H3
• InChIKey: ZLFKMXCBUCIVHV-UHFFFAOYSA-N
• XLogP: 34.01
• TPSA: 309.36 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 5
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2153.37
LogP ≤ 5	34.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-propan-2-ylpyrazine;3-tert-butyl-6-propan-2-ylpyridazine;2-tert-butyl-5-propan-2-ylpyridine;2-tert-butyl-5-propan-2-ylpyrimidine;3-tert-butyl-6-propan-2-yl-1,2,4-triazine;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;2,4-ditert-butyl-1,3,5-triazine;3,5-ditert-butyl-1,2,4-triazine;2,6-dimethylpyridine?

The IUPAC name of 2-tert-butyl-5-propan-2-ylpyrazine;3-tert-butyl-6-propan-2-ylpyridazine;2-tert-butyl-5-propan-2-ylpyridine;2-tert-butyl-5-propan-2-ylpyrimidine;3-tert-butyl-6-propan-2-yl-1,2,4-triazine;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;2,4-ditert-butyl-1,3,5-triazine;3,5-ditert-butyl-1,2,4-triazine;2,6-dimethylpyridine (CID 162151116) is 2-tert-butyl-5-propan-2-ylpyrazine;3-tert-butyl-6-propan-2-ylpyridazine;2-tert-butyl-5-propan-2-ylpyridine;2-tert-butyl-5-propan-2-ylpyrimidine;3-tert-butyl-6-propan-2-yl-1,2,4-triazine;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;2,4-ditert-butyl-1,3,5-triazine;3,5-ditert-butyl-1,2,4-triazine;2,6-dimethylpyridine.

What is the SMILES notation for 2-tert-butyl-5-propan-2-ylpyrazine;3-tert-butyl-6-propan-2-ylpyridazine;2-tert-butyl-5-propan-2-ylpyridine;2-tert-butyl-5-propan-2-ylpyrimidine;3-tert-butyl-6-propan-2-yl-1,2,4-triazine;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;2,4-ditert-butyl-1,3,5-triazine;3,5-ditert-butyl-1,2,4-triazine;2,6-dimethylpyridine?

The canonical SMILES for 2-tert-butyl-5-propan-2-ylpyrazine;3-tert-butyl-6-propan-2-ylpyridazine;2-tert-butyl-5-propan-2-ylpyridine;2-tert-butyl-5-propan-2-ylpyrimidine;3-tert-butyl-6-propan-2-yl-1,2,4-triazine;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;2,4-ditert-butyl-1,3,5-triazine;3,5-ditert-butyl-1,2,4-triazine;2,6-dimethylpyridine is CC(C)(C)c1cc(C(C)(C)C)ncn1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1ccnc(C(C)(C)C)n1.CC(C)(C)c1cnnc(C(C)(C)C)c1.CC(C)(C)c1cnnc(C(C)(C)C)n1.CC(C)(C)c1ncnc(C(C)(C)C)n1.CC(C)c1ccc(C(C)(C)C)nc1.CC(C)c1ccc(C(C)(C)C)nn1.CC(C)c1cnc(C(C)(C)C)cn1.CC(C)c1cnc(C(C)(C)C)nc1.CC(C)c1cnc(C(C)(C)C)nn1.Cc1cccc(C)n1.

What is the InChIKey of 2-tert-butyl-5-propan-2-ylpyrazine;3-tert-butyl-6-propan-2-ylpyridazine;2-tert-butyl-5-propan-2-ylpyridine;2-tert-butyl-5-propan-2-ylpyrimidine;3-tert-butyl-6-propan-2-yl-1,2,4-triazine;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;2,4-ditert-butyl-1,3,5-triazine;3,5-ditert-butyl-1,2,4-triazine;2,6-dimethylpyridine?

The InChIKey is ZLFKMXCBUCIVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.3C12H20N2.C12H19N.2C11H19N3.3C11H18N2.C10H17N3.C7H9N/c1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;1-11(2,3)9-7-10(12(4,5)6)14-8-13-9;1-11(2,3)9-7-10(12(4,5)6)14-13-8-9;1-11(2,3)9-7-8-13-10(14-9)12(4,5)6;1-9(2)10-6-7-11(13-8-10)12(3,4)5;1-10(2,3)8-12-7-13-9(14-8)11(4,5)6;1-10(2,3)8-7-12-14-9(13-8)11(4,5)6;1-8(2)9-6-13-10(7-12-9)11(3,4)5;1-8(2)9-6-12-10(13-7-9)11(3,4)5;1-8(2)9-6-7-10(13-12-9)11(3,4)5;1-7(2)8-6-11-9(13-12-8)10(3,4)5;1-6-4-3-5-7(2)8-6/h7-9H,1-6H3;3*7-8H,1-6H3;6-9H,1-5H3;2*7H,1-6H3;3*6-8H,1-5H3;6-7H,1-5H3;3-5H,1-2H3.

What are the key properties of 2-tert-butyl-5-propan-2-ylpyrazine;3-tert-butyl-6-propan-2-ylpyridazine;2-tert-butyl-5-propan-2-ylpyridine;2-tert-butyl-5-propan-2-ylpyrimidine;3-tert-butyl-6-propan-2-yl-1,2,4-triazine;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;2,4-ditert-butyl-1,3,5-triazine;3,5-ditert-butyl-1,2,4-triazine;2,6-dimethylpyridine?

2-tert-butyl-5-propan-2-ylpyrazine;3-tert-butyl-6-propan-2-ylpyridazine;2-tert-butyl-5-propan-2-ylpyridine;2-tert-butyl-5-propan-2-ylpyrimidine;3-tert-butyl-6-propan-2-yl-1,2,4-triazine;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;2,4-ditert-butyl-1,3,5-triazine;3,5-ditert-butyl-1,2,4-triazine;2,6-dimethylpyridine has a molecular weight of 2153.37 g/mol, XLogP of 34.01, 5 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-propan-2-ylpyrazine;3-tert-butyl-6-propan-2-ylpyridazine;2-tert-butyl-5-propan-2-ylpyridine;2-tert-butyl-5-propan-2-ylpyrimidine;3-tert-butyl-6-propan-2-yl-1,2,4-triazine;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;2,4-ditert-butyl-1,3,5-triazine;3,5-ditert-butyl-1,2,4-triazine;2,6-dimethylpyridine is sourced from PubChem (CID 162151116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).