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

C77H107N23 — CID 159061453

IUPACbis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine
SMILESCc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cccc(C)n1.Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cncc(C)n1.Cc1cnn(C)c1.Cc1cnn(C)c1
InChIInChI=1S/3C7H9N.6C6H8N2.4C5H8N2/c2*1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;2*1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-7-6(2)8-4-5;2*1-5-3-4-7-6(2)8-5;2*1-5-3-6-7(2)4-5;2*1-5-3-4-7(2)6-5/h3*3-5H,1-2H3;6*3-4H,1-2H3;4*3-4H,1-2H3
InChIKeyJYNDIPVTAFUDSJ-UHFFFAOYSA-N
MW1354.86 g/mol
LogP14.57
Rot. Bonds

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

bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine (PubChem CID 159061453) has the molecular formula C77H107N23 and a molecular weight of 1354.86 g/mol. Its IUPAC name is bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine.

Molecular Properties

Compound Namebis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine
PubChem CID159061453
Molecular FormulaC77H107N23
Molecular Weight1354.86 g/mol
Exact Mass1353.91
IUPAC Namebis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine
SMILESCc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cccc(C)n1.Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cncc(C)n1.Cc1cnn(C)c1.Cc1cnn(C)c1
InChIInChI=1S/3C7H9N.6C6H8N2.4C5H8N2/c2*1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;2*1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-7-6(2)8-4-5;2*1-5-3-4-7-6(2)8-5;2*1-5-3-6-7(2)4-5;2*1-5-3-4-7(2)6-5/h3*3-5H,1-2H3;6*3-4H,1-2H3;4*3-4H,1-2H3
InChIKeyJYNDIPVTAFUDSJ-UHFFFAOYSA-N
XLogP14.57
TPSA264.63 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001354.86
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine?
The IUPAC name of bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine (CID 159061453) is bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine.
What is the SMILES notation for bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine?
The canonical SMILES for bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine is Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cccc(C)n1.Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cncc(C)n1.Cc1cnn(C)c1.Cc1cnn(C)c1.
What is the InChIKey of bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine?
The InChIKey is JYNDIPVTAFUDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H9N.6C6H8N2.4C5H8N2/c2*1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;2*1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-7-6(2)8-4-5;2*1-5-3-4-7-6(2)8-5;2*1-5-3-6-7(2)4-5;2*1-5-3-4-7(2)6-5/h3*3-5H,1-2H3;6*3-4H,1-2H3;4*3-4H,1-2H3.
What are the key properties of bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine?
bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine has a molecular weight of 1354.86 g/mol, XLogP of 14.57, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine is sourced from PubChem (CID 159061453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).