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

C94H160N16 — CID 160963900

IUPACbis(2,5-dimethylpyrazine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cccc(C)n1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cncc(C)c1
InChIInChI=1S/6C7H9N.5C6H8N2.11C2H6/c1-6-3-7(2)5-8-4-6;2*1-6-3-4-8-7(2)5-6;2*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;2*1-5-3-7-6(2)8-4-5;1-5-3-4-7-6(2)8-5;11*1-2/h6*3-5H,1-2H3;5*3-4H,1-2H3;11*1-2H3
InChIKeySXJCLCRFDYIWBE-UHFFFAOYSA-N
MW1514.43 g/mol
LogP26.95
Rot. Bonds

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

bis(2,5-dimethylpyrazine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);ethane (PubChem CID 160963900) has the molecular formula C94H160N16 and a molecular weight of 1514.43 g/mol. Its IUPAC name is bis(2,5-dimethylpyrazine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);ethane.

Molecular Properties

Compound Namebis(2,5-dimethylpyrazine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);ethane
PubChem CID160963900
Molecular FormulaC94H160N16
Molecular Weight1514.43 g/mol
Exact Mass1513.30
IUPAC Namebis(2,5-dimethylpyrazine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cccc(C)n1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cncc(C)c1
InChIInChI=1S/6C7H9N.5C6H8N2.11C2H6/c1-6-3-7(2)5-8-4-6;2*1-6-3-4-8-7(2)5-6;2*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;2*1-5-3-7-6(2)8-4-5;1-5-3-4-7-6(2)8-5;11*1-2/h6*3-5H,1-2H3;5*3-4H,1-2H3;11*1-2H3
InChIKeySXJCLCRFDYIWBE-UHFFFAOYSA-N
XLogP26.95
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001514.43
LogP ≤ 526.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine
CID 158053657
bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene
CID 163474708
bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);2,4-dimethylquinoline;ethane
CID 158190897
bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene
CID 158263629
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
2,6-dimethylanthracene;9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;ethane
CID 163573009
2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;4,6-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;ethane
CID 159686931
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
2,4-dimethylpyridine;ethane;2-methylpyridine
CID 143179513
ethane;2,7,9-trimethylazecine
CID 145048152
1,3-dimethylimidazolidin-2-one;1,3-dimethylimidazol-2-one;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;2,4-dimethyl-1,3,5-triazine;1,3-xylene;1,4-xylene
CID 157295625
2,6-dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine
CID 160979837

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethylpyrazine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);ethane?
The IUPAC name of bis(2,5-dimethylpyrazine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);ethane (CID 160963900) is bis(2,5-dimethylpyrazine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);ethane.
What is the SMILES notation for bis(2,5-dimethylpyrazine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);ethane?
The canonical SMILES for bis(2,5-dimethylpyrazine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cccc(C)n1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cncc(C)c1.
What is the InChIKey of bis(2,5-dimethylpyrazine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);ethane?
The InChIKey is SXJCLCRFDYIWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/6C7H9N.5C6H8N2.11C2H6/c1-6-3-7(2)5-8-4-6;2*1-6-3-4-8-7(2)5-6;2*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;2*1-5-3-7-6(2)8-4-5;1-5-3-4-7-6(2)8-5;11*1-2/h6*3-5H,1-2H3;5*3-4H,1-2H3;11*1-2H3.
What are the key properties of bis(2,5-dimethylpyrazine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);ethane?
bis(2,5-dimethylpyrazine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);ethane has a molecular weight of 1514.43 g/mol, XLogP of 26.95, 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);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);ethane is sourced from PubChem (CID 160963900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).