2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);6-methylquinoline;bis(2-methyl-1,3,5-triazine);toluene

C180H206N20 — CID 157156586

IUPAC2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);6-methylquinoline;bis(2-methyl-1,3,5-triazine);toluene
SMILESCc1ccc2ncccc2c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ccncn1.Cc1ccncn1.Cc1cncnc1.Cc1cncnc1.Cc1ncccn1.Cc1ncncn1.Cc1ncncn1
InChIInChI=1S/C10H9N.17C7H8.3C6H7N.5C5H6N2.2C4H5N3/c1-8-4-5-10-9(7-8)3-2-6-11-10;17*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/h2-7H,1H3;17*2-6H,1H3;3*2-5H,1H3;5*2-4H,1H3;2*2-3H,1H3
InChIKeyALWMNQCXAQPACH-UHFFFAOYSA-N
MW2649.77 g/mol
LogP44.91
Rot. Bonds

About 2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);6-methylquinoline;bis(2-methyl-1,3,5-triazine);toluene

2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);6-methylquinoline;bis(2-methyl-1,3,5-triazine);toluene (PubChem CID 157156586) has the molecular formula C180H206N20 and a molecular weight of 2649.77 g/mol. Its IUPAC name is 2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);6-methylquinoline;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);6-methylquinoline;bis(2-methyl-1,3,5-triazine);toluene
PubChem CID157156586
Molecular FormulaC180H206N20
Molecular Weight2649.77 g/mol
Exact Mass2647.67
IUPAC Name2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);6-methylquinoline;bis(2-methyl-1,3,5-triazine);toluene
SMILESCc1ccc2ncccc2c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ccncn1.Cc1ccncn1.Cc1cncnc1.Cc1cncnc1.Cc1ncccn1.Cc1ncncn1.Cc1ncncn1
InChIInChI=1S/C10H9N.17C7H8.3C6H7N.5C5H6N2.2C4H5N3/c1-8-4-5-10-9(7-8)3-2-6-11-10;17*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/h2-7H,1H3;17*2-6H,1H3;3*2-5H,1H3;5*2-4H,1H3;2*2-3H,1H3
InChIKeyALWMNQCXAQPACH-UHFFFAOYSA-N
XLogP44.91
TPSA257.80 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002649.77
LogP ≤ 544.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);6-methylquinoline;bis(2-methyl-1,3,5-triazine);toluene with MolForge

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Related Compounds

Sri-9439
CID 446752
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
(R)-2-(4-methyl-2-(pyrrolidin-1-yl)pyrimidin-5-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11647025
(R)-2-methyl-3-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-1,8-naphthyridine
CID 11710694
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyrimidin-5-yl)quinoline
CID 11723422
N-(4-methylphenyl)-2-pyridin-4-yl-4-quinazolinamine
CID 748627
2-pyridin-3-yl-N-(pyridin-3-ylmethyl)quinazolin-4-amine
CID 3235471
N-(6-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}hexyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644778
N-(7-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}heptyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644779

Frequently Asked Questions

What is the IUPAC name of 2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);6-methylquinoline;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);6-methylquinoline;bis(2-methyl-1,3,5-triazine);toluene (CID 157156586) is 2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);6-methylquinoline;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);6-methylquinoline;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);6-methylquinoline;bis(2-methyl-1,3,5-triazine);toluene is Cc1ccc2ncccc2c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.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);6-methylquinoline;bis(2-methyl-1,3,5-triazine);toluene?
The InChIKey is ALWMNQCXAQPACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.17C7H8.3C6H7N.5C5H6N2.2C4H5N3/c1-8-4-5-10-9(7-8)3-2-6-11-10;17*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/h2-7H,1H3;17*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);6-methylquinoline;bis(2-methyl-1,3,5-triazine);toluene?
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);6-methylquinoline;bis(2-methyl-1,3,5-triazine);toluene has a molecular weight of 2649.77 g/mol, XLogP of 44.91, 0 rotatable bonds, 0 hydrogen bond donors, and 20 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);6-methylquinoline;bis(2-methyl-1,3,5-triazine);toluene is sourced from PubChem (CID 157156586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).