About 2-tert-butyl-3-methylpyridine;2-chloro-6-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine
2-tert-butyl-3-methylpyridine;2-chloro-6-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine (PubChem CID 157094549) has the molecular formula C81H113Cl3N14
and a molecular weight of 1389.25 g/mol. Its IUPAC name is 2-tert-butyl-3-methylpyridine;2-chloro-6-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine.
Molecular Properties
| Compound Name | 2-tert-butyl-3-methylpyridine;2-chloro-6-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine |
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| PubChem CID | 157094549 |
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| Molecular Formula | C81H113Cl3N14 |
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| Molecular Weight | 1389.25 g/mol |
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| Exact Mass | 1386.83 |
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| IUPAC Name | 2-tert-butyl-3-methylpyridine;2-chloro-6-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine |
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| SMILES | CC(C)c1cc(Cl)ccn1.CC(C)c1ccc(Cl)cn1.CC(C)c1cccc(Cl)n1.CC(C)c1ccccn1.CC(C)c1ccncn1.CC(C)c1cnccn1.Cc1cccc(C(C)C)n1.Cc1cccnc1C(C)(C)C.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1 |
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| InChI | InChI=1S/C10H15N.C9H13N.3C8H10ClN.2C8H12N2.C8H11N.2C7H10N2/c1-8-6-5-7-11-9(8)10(2,3)4;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-4-3-5-8(9)10-7;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-9-4-7(3)5-10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7/h5-7H,1-4H3;4-7H,1-3H3;3*3-6H,1-2H3;2*4-6H,1-3H3;3-7H,1-2H3;2*3-6H,1-2H3 |
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| InChIKey | AFBBDLMXVQYQAZ-UHFFFAOYSA-N |
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| XLogP | 23.00 |
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| TPSA | 180.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 14 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 98 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1389.25 |
| LogP ≤ 5 | 23.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Analyze 2-tert-butyl-3-methylpyridine;2-chloro-6-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-tert-butyl-3-methylpyridine;2-chloro-6-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine?
The IUPAC name of 2-tert-butyl-3-methylpyridine;2-chloro-6-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine (CID 157094549) is 2-tert-butyl-3-methylpyridine;2-chloro-6-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine.
What is the SMILES notation for 2-tert-butyl-3-methylpyridine;2-chloro-6-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine?
The canonical SMILES for 2-tert-butyl-3-methylpyridine;2-chloro-6-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine is CC(C)c1cc(Cl)ccn1.CC(C)c1ccc(Cl)cn1.CC(C)c1cccc(Cl)n1.CC(C)c1ccccn1.CC(C)c1ccncn1.CC(C)c1cnccn1.Cc1cccc(C(C)C)n1.Cc1cccnc1C(C)(C)C.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1.
What is the InChIKey of 2-tert-butyl-3-methylpyridine;2-chloro-6-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine?
The InChIKey is AFBBDLMXVQYQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H13N.3C8H10ClN.2C8H12N2.C8H11N.2C7H10N2/c1-8-6-5-7-11-9(8)10(2,3)4;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-4-3-5-8(9)10-7;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-9-4-7(3)5-10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7/h5-7H,1-4H3;4-7H,1-3H3;3*3-6H,1-2H3;2*4-6H,1-3H3;3-7H,1-2H3;2*3-6H,1-2H3.
What are the key properties of 2-tert-butyl-3-methylpyridine;2-chloro-6-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine?
2-tert-butyl-3-methylpyridine;2-chloro-6-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine has a molecular weight of 1389.25 g/mol, XLogP of 23.00, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methylpyridine;2-chloro-6-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine is sourced from PubChem (CID 157094549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).