bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;2,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine

C48H64N16 — CID 158582410

IUPACbis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;2,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine
SMILESCc1ccc(C)nc1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cncc(C)n1.Cc1ncnc(C)n1
InChIInChI=1S/C7H9N.6C6H8N2.C5H7N3/c1-6-3-4-7(2)8-5-6;2*1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;2*1-5-3-7-6(2)8-4-5;1-5-3-4-7-6(2)8-5;1-4-6-3-7-5(2)8-4/h3-5H,1-2H3;6*3-4H,1-2H3;3H,1-2H3
InChIKeyHTKKGRJQUJTHER-UHFFFAOYSA-N
MW865.15 g/mol
LogP8.75
Rot. Bonds

About bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;2,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine

bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;2,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine (PubChem CID 158582410) has the molecular formula C48H64N16 and a molecular weight of 865.15 g/mol. Its IUPAC name is bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;2,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine.

Molecular Properties

Compound Namebis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;2,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine
PubChem CID158582410
Molecular FormulaC48H64N16
Molecular Weight865.15 g/mol
Exact Mass864.55
IUPAC Namebis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;2,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine
SMILESCc1ccc(C)nc1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cncc(C)n1.Cc1ncnc(C)n1
InChIInChI=1S/C7H9N.6C6H8N2.C5H7N3/c1-6-3-4-7(2)8-5-6;2*1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;2*1-5-3-7-6(2)8-4-5;1-5-3-4-7-6(2)8-5;1-4-6-3-7-5(2)8-4/h3-5H,1-2H3;6*3-4H,1-2H3;3H,1-2H3
InChIKeyHTKKGRJQUJTHER-UHFFFAOYSA-N
XLogP8.75
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500865.15
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;2,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;2,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine?
The IUPAC name of bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;2,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine (CID 158582410) is bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;2,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine.
What is the SMILES notation for bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;2,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine?
The canonical SMILES for bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;2,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine is Cc1ccc(C)nc1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cncc(C)n1.Cc1ncnc(C)n1.
What is the InChIKey of bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;2,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine?
The InChIKey is HTKKGRJQUJTHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.6C6H8N2.C5H7N3/c1-6-3-4-7(2)8-5-6;2*1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;2*1-5-3-7-6(2)8-4-5;1-5-3-4-7-6(2)8-5;1-4-6-3-7-5(2)8-4/h3-5H,1-2H3;6*3-4H,1-2H3;3H,1-2H3.
What are the key properties of bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;2,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine?
bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;2,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine has a molecular weight of 865.15 g/mol, XLogP of 8.75, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;2,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine is sourced from PubChem (CID 158582410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).