2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene

C100H117N19 — CID 157122549

IUPAC2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene
SMILESCc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ccncn1.Cc1ccncn1.Cc1cncnc1.Cc1cncnc1.Cc1ncccn1.Cc1ncncn1.Cc1ncncn1
InChIInChI=1S/7C7H8.3C6H7N.5C5H6N2.2C4H5N3/c7*1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;2*1-5-2-6-4-7-3-5;2*1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;2*1-4-6-2-5-3-7-4/h7*2-6H,1H3;3*2-5H,1H3;5*2-4H,1H3;2*2-3H,1H3
InChIKeyAIDJZMFDHNCSHO-UHFFFAOYSA-N
MW1585.17 g/mol
LogP22.42
Rot. Bonds

About 2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene

2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene (PubChem CID 157122549) has the molecular formula C100H117N19 and a molecular weight of 1585.17 g/mol. Its IUPAC name is 2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene.

Molecular Properties

Compound Name2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene
PubChem CID157122549
Molecular FormulaC100H117N19
Molecular Weight1585.17 g/mol
Exact Mass1583.97
IUPAC Name2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene
SMILESCc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ccncn1.Cc1ccncn1.Cc1cncnc1.Cc1cncnc1.Cc1ncccn1.Cc1ncncn1.Cc1ncncn1
InChIInChI=1S/7C7H8.3C6H7N.5C5H6N2.2C4H5N3/c7*1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;2*1-5-2-6-4-7-3-5;2*1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;2*1-4-6-2-5-3-7-4/h7*2-6H,1H3;3*2-5H,1H3;5*2-4H,1H3;2*2-3H,1H3
InChIKeyAIDJZMFDHNCSHO-UHFFFAOYSA-N
XLogP22.42
TPSA244.91 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001585.17
LogP ≤ 522.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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Related Compounds

bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene
CID 159589616
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);5-methylpyrimidine;bis(2-methyl-1,3,5-triazine);toluene
CID 158554373
ethane;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene
CID 157388582
1-methylpentazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine
CID 161081920
bis(2,3-dimethylthiophene);ethane;2-methylpyridine;bis(3-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene
CID 158526238
2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 157092955
ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 158312228
ethane;3-methylpyridine;4-methylpyridine;4-methylpyrimidine
CID 145078126
3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene
CID 159849865
methane;2-methylpyridine;2-methylpyrimidine;5-methylpyrimidine
CID 158219672
ethane;4-methyl-2,6-diphenylpyridine;3-methyl-2-(4-methylphenyl)-6-phenylpyridine;2-methyl-5-phenylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine
CID 163962635
ethane;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine
CID 157260793

Frequently Asked Questions

What is the IUPAC name of 2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene?
The IUPAC name of 2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene (CID 157122549) is 2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene.
What is the SMILES notation for 2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene?
The canonical SMILES for 2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene is Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ccncn1.Cc1ccncn1.Cc1cncnc1.Cc1cncnc1.Cc1ncccn1.Cc1ncncn1.Cc1ncncn1.
What is the InChIKey of 2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene?
The InChIKey is AIDJZMFDHNCSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/7C7H8.3C6H7N.5C5H6N2.2C4H5N3/c7*1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;2*1-5-2-6-4-7-3-5;2*1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;2*1-4-6-2-5-3-7-4/h7*2-6H,1H3;3*2-5H,1H3;5*2-4H,1H3;2*2-3H,1H3.
What are the key properties of 2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene?
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene has a molecular weight of 1585.17 g/mol, XLogP of 22.42, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene is sourced from PubChem (CID 157122549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).