3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene

C30H35N5 — CID 159849865

IUPAC3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene
SMILESCc1ccccc1.Cc1cccnc1.Cc1ccncc1.Cc1ccncc1.Cc1cncnc1
InChIInChI=1S/C7H8.3C6H7N.C5H6N2/c1-7-5-3-2-4-6-7;2*1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5/h2-6H,1H3;3*2-5H,1H3;2-4H,1H3
InChIKeyNPUGMUOLMGWESJ-UHFFFAOYSA-N
MW465.65 g/mol
LogP6.95
Rot. Bonds

About 3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene

3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene (PubChem CID 159849865) has the molecular formula C30H35N5 and a molecular weight of 465.65 g/mol. Its IUPAC name is 3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene.

Molecular Properties

Compound Name3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene
PubChem CID159849865
Molecular FormulaC30H35N5
Molecular Weight465.65 g/mol
Exact Mass465.29
IUPAC Name3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene
SMILESCc1ccccc1.Cc1cccnc1.Cc1ccncc1.Cc1ccncc1.Cc1cncnc1
InChIInChI=1S/C7H8.3C6H7N.C5H6N2/c1-7-5-3-2-4-6-7;2*1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5/h2-6H,1H3;3*2-5H,1H3;2-4H,1H3
InChIKeyNPUGMUOLMGWESJ-UHFFFAOYSA-N
XLogP6.95
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.65
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylpyridine;4-methylpyridine
CID 21425791
2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 157092955
ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 158312228
ethane;methane;3-methylpyridine;toluene;1,4-xylene
CID 159514301
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene
CID 157122549
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);5-methylpyrimidine;bis(2-methyl-1,3,5-triazine);toluene
CID 158554373
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
ethane;3-methylpyridine;4-methylpyridine;4-methylpyrimidine
CID 145078126
bis(3-methylpyridine);palladium(2+);dichloride
CID 71466702
bis(3-methylpyridine);platinum(2+);dichloride
CID 23341677
1-methyl-4-phenylbenzene;4-(4-methylphenyl)pyridine;4-methylpyridine;5-methylpyrimidine;2-methyl-1,3,5-triazine;toluene
CID 163534862
bis(3-methylpyridine);tetrachloroplatinum
CID 3415062

Frequently Asked Questions

What is the IUPAC name of 3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene?
The IUPAC name of 3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene (CID 159849865) is 3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene.
What is the SMILES notation for 3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene?
The canonical SMILES for 3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene is Cc1ccccc1.Cc1cccnc1.Cc1ccncc1.Cc1ccncc1.Cc1cncnc1.
What is the InChIKey of 3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene?
The InChIKey is NPUGMUOLMGWESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.3C6H7N.C5H6N2/c1-7-5-3-2-4-6-7;2*1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5/h2-6H,1H3;3*2-5H,1H3;2-4H,1H3.
What are the key properties of 3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene?
3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene has a molecular weight of 465.65 g/mol, XLogP of 6.95, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene is sourced from PubChem (CID 159849865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).