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

C45H59N11 — CID 158053657

IUPAC2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine
SMILESCc1cc(C)ncn1.Cc1ccc(C)nc1.Cc1cccc(C)n1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1cnc(C)nc1.Cc1cnc(C)nc1
InChIInChI=1S/3C7H9N.4C6H8N2/c1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-5-3-6(2)8-4-7-5;2*1-5-3-7-6(2)8-4-5;1-5-3-4-7-6(2)8-5/h3*3-5H,1-2H3;4*3-4H,1-2H3
InChIKeyFJTWRIVISCVALX-UHFFFAOYSA-N
MW754.04 g/mol
LogP9.47
Rot. Bonds

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

2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine (PubChem CID 158053657) has the molecular formula C45H59N11 and a molecular weight of 754.04 g/mol. Its IUPAC name is 2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine
PubChem CID158053657
Molecular FormulaC45H59N11
Molecular Weight754.04 g/mol
Exact Mass753.50
IUPAC Name2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine
SMILESCc1cc(C)ncn1.Cc1ccc(C)nc1.Cc1cccc(C)n1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1cnc(C)nc1.Cc1cnc(C)nc1
InChIInChI=1S/3C7H9N.4C6H8N2/c1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-5-3-6(2)8-4-7-5;2*1-5-3-7-6(2)8-4-5;1-5-3-4-7-6(2)8-5/h3*3-5H,1-2H3;4*3-4H,1-2H3
InChIKeyFJTWRIVISCVALX-UHFFFAOYSA-N
XLogP9.47
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500754.04
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

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
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(2,5-dimethylpyrazine);2,6-dimethylpyrazine;2,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3,5-triazine
CID 158582410
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
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
2,6-dimethylanthracene;9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;ethane
CID 163573009
2,4-dimethylpyridine;ethane;2-methylpyridine
CID 143179513
1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene
CID 159823913
2,5,9-trimethylazecine
CID 144887910
2,5-dimethylfuran;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 159385097

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine?
The IUPAC name of 2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine (CID 158053657) is 2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine.
What is the SMILES notation for 2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine?
The canonical SMILES for 2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine is Cc1cc(C)ncn1.Cc1ccc(C)nc1.Cc1cccc(C)n1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.
What is the InChIKey of 2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine?
The InChIKey is FJTWRIVISCVALX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H9N.4C6H8N2/c1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-5-3-6(2)8-4-7-5;2*1-5-3-7-6(2)8-4-5;1-5-3-4-7-6(2)8-5/h3*3-5H,1-2H3;4*3-4H,1-2H3.
What are the key properties of 2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine?
2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine has a molecular weight of 754.04 g/mol, XLogP of 9.47, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine is sourced from PubChem (CID 158053657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).