2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane

C66H118N12 — CID 162129146

IUPAC2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane
SMILESC.C.C.C.C.C.C.C.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncncn1
InChIInChI=1S/3C9H13N.3C8H12N2.C7H11N3.8CH4/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)6-9-4-8-5-10-6;;;;;;;;/h3*4-7H,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3;8*1H4
InChIKeyZIKZHQMODBIPFL-UHFFFAOYSA-N
MW1079.75 g/mol
LogP18.72
Rot. Bonds

About 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane

2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane (PubChem CID 162129146) has the molecular formula C66H118N12 and a molecular weight of 1079.75 g/mol. Its IUPAC name is 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane.

Molecular Properties

Compound Name2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane
PubChem CID162129146
Molecular FormulaC66H118N12
Molecular Weight1079.75 g/mol
Exact Mass1078.96
IUPAC Name2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane
SMILESC.C.C.C.C.C.C.C.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncncn1
InChIInChI=1S/3C9H13N.3C8H12N2.C7H11N3.8CH4/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)6-9-4-8-5-10-6;;;;;;;;/h3*4-7H,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3;8*1H4
InChIKeyZIKZHQMODBIPFL-UHFFFAOYSA-N
XLogP18.72
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001079.75
LogP ≤ 518.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane?
The IUPAC name of 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane (CID 162129146) is 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane.
What is the SMILES notation for 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane?
The canonical SMILES for 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane is C.C.C.C.C.C.C.C.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncncn1.
What is the InChIKey of 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane?
The InChIKey is ZIKZHQMODBIPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H13N.3C8H12N2.C7H11N3.8CH4/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)6-9-4-8-5-10-6;;;;;;;;/h3*4-7H,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3;8*1H4.
What are the key properties of 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane?
2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane has a molecular weight of 1079.75 g/mol, XLogP of 18.72, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane is sourced from PubChem (CID 162129146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).