4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;6-methyl-7H-purine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-d]pyrimidine;4-methylthieno[3,2-d]pyrimidine;toluene

C77H76N18O2S2 — CID 161181740

About 4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;6-methyl-7H-purine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-d]pyrimidine;4-methylthieno[3,2-d]pyrimidine;toluene

4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;6-methyl-7H-purine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-d]pyrimidine;4-methylthieno[3,2-d]pyrimidine;toluene (PubChem CID 161181740) has the molecular formula C77H76N18O2S2 and a molecular weight of 1349.71 g/mol. Its IUPAC name is 4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;6-methyl-7H-purine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-d]pyrimidine;4-methylthieno[3,2-d]pyrimidine;toluene.

Molecular Properties

• Compound Name: 4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;6-methyl-7H-purine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-d]pyrimidine;4-methylthieno[3,2-d]pyrimidine;toluene
• PubChem CID: 161181740
• Molecular Formula: C77H76N18O2S2
• Molecular Weight: 1349.71 g/mol
• Exact Mass: 1348.58
• IUPAC Name: 4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;6-methyl-7H-purine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-d]pyrimidine;4-methylthieno[3,2-d]pyrimidine;toluene
• SMILES: Cc1ccccc1.Cc1ccccn1.Cc1ccnc2c1CC=N2.Cc1ccnc2ccccc12.Cc1ccnc2occc12.Cc1ccncc1.Cc1ccncn1.Cc1ncnc2ccoc12.Cc1ncnc2ccsc12.Cc1ncnc2nc[nH]c12.Cc1ncnc2sccc12
• InChI: InChI=1S/C10H9N.C8H8N2.C8H7NO.C7H6N2O.2C7H6N2S.C7H8.C6H6N4.2C6H7N.C5H6N2/c1-8-6-7-11-10-5-3-2-4-9(8)10;2*1-6-2-4-9-8-7(6)3-5-10-8;2*1-5-7-6(2-3-10-7)9-4-8-5;1-5-6-2-3-10-7(6)9-4-8-5;1-7-5-3-2-4-6-7;1-4-5-6(9-2-7-4)10-3-8-5;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-7-5/h2-7H,1H3;2,4-5H,3H2,1H3;2-5H,1H3;3*2-4H,1H3;2-6H,1H3;2-3H,1H3,(H,7,8,9,10);2*2-5H,1H3;2-4H,1H3
• InChIKey: USNXPBXCCUYLRD-UHFFFAOYSA-N
• XLogP: 18.08
• TPSA: 260.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1349.71
LogP ≤ 5	18.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;6-methyl-7H-purine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-d]pyrimidine;4-methylthieno[3,2-d]pyrimidine;toluene?

The IUPAC name of 4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;6-methyl-7H-purine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-d]pyrimidine;4-methylthieno[3,2-d]pyrimidine;toluene (CID 161181740) is 4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;6-methyl-7H-purine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-d]pyrimidine;4-methylthieno[3,2-d]pyrimidine;toluene.

What is the SMILES notation for 4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;6-methyl-7H-purine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-d]pyrimidine;4-methylthieno[3,2-d]pyrimidine;toluene?

The canonical SMILES for 4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;6-methyl-7H-purine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-d]pyrimidine;4-methylthieno[3,2-d]pyrimidine;toluene is Cc1ccccc1.Cc1ccccn1.Cc1ccnc2c1CC=N2.Cc1ccnc2ccccc12.Cc1ccnc2occc12.Cc1ccncc1.Cc1ccncn1.Cc1ncnc2ccoc12.Cc1ncnc2ccsc12.Cc1ncnc2nc[nH]c12.Cc1ncnc2sccc12.

What is the InChIKey of 4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;6-methyl-7H-purine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-d]pyrimidine;4-methylthieno[3,2-d]pyrimidine;toluene?

The InChIKey is USNXPBXCCUYLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C8H8N2.C8H7NO.C7H6N2O.2C7H6N2S.C7H8.C6H6N4.2C6H7N.C5H6N2/c1-8-6-7-11-10-5-3-2-4-9(8)10;2*1-6-2-4-9-8-7(6)3-5-10-8;2*1-5-7-6(2-3-10-7)9-4-8-5;1-5-6-2-3-10-7(6)9-4-8-5;1-7-5-3-2-4-6-7;1-4-5-6(9-2-7-4)10-3-8-5;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-7-5/h2-7H,1H3;2,4-5H,3H2,1H3;2-5H,1H3;3*2-4H,1H3;2-6H,1H3;2-3H,1H3,(H,7,8,9,10);2*2-5H,1H3;2-4H,1H3.

What are the key properties of 4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;6-methyl-7H-purine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-d]pyrimidine;4-methylthieno[3,2-d]pyrimidine;toluene?

4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;6-methyl-7H-purine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-d]pyrimidine;4-methylthieno[3,2-d]pyrimidine;toluene has a molecular weight of 1349.71 g/mol, XLogP of 18.08, 0 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;6-methyl-7H-purine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-d]pyrimidine;4-methylthieno[3,2-d]pyrimidine;toluene is sourced from PubChem (CID 161181740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).