2-chloro-4-methylpyrimidine;2,4-dichloro-6-methylpyrimidine;4,6-dichloro-2-methylpyrimidine;2,4-dichloro-6-methyl-1,3,5-triazine;1,5-dimethylpyrazole;3,5-dimethylpyridazine;3,5-dimethyl-1,2,4-thiadiazole;2-fluoro-5-methylpyridine;3-methylpyridine;2-methylquinoline;3-methylthiophene

C61H66Cl7FN18S2 — CID 161026320

About 2-chloro-4-methylpyrimidine;2,4-dichloro-6-methylpyrimidine;4,6-dichloro-2-methylpyrimidine;2,4-dichloro-6-methyl-1,3,5-triazine;1,5-dimethylpyrazole;3,5-dimethylpyridazine;3,5-dimethyl-1,2,4-thiadiazole;2-fluoro-5-methylpyridine;3-methylpyridine;2-methylquinoline;3-methylthiophene

2-chloro-4-methylpyrimidine;2,4-dichloro-6-methylpyrimidine;4,6-dichloro-2-methylpyrimidine;2,4-dichloro-6-methyl-1,3,5-triazine;1,5-dimethylpyrazole;3,5-dimethylpyridazine;3,5-dimethyl-1,2,4-thiadiazole;2-fluoro-5-methylpyridine;3-methylpyridine;2-methylquinoline;3-methylthiophene (PubChem CID 161026320) has the molecular formula C61H66Cl7FN18S2 and a molecular weight of 1382.63 g/mol. Its IUPAC name is 2-chloro-4-methylpyrimidine;2,4-dichloro-6-methylpyrimidine;4,6-dichloro-2-methylpyrimidine;2,4-dichloro-6-methyl-1,3,5-triazine;1,5-dimethylpyrazole;3,5-dimethylpyridazine;3,5-dimethyl-1,2,4-thiadiazole;2-fluoro-5-methylpyridine;3-methylpyridine;2-methylquinoline;3-methylthiophene.

Molecular Properties

• Compound Name: 2-chloro-4-methylpyrimidine;2,4-dichloro-6-methylpyrimidine;4,6-dichloro-2-methylpyrimidine;2,4-dichloro-6-methyl-1,3,5-triazine;1,5-dimethylpyrazole;3,5-dimethylpyridazine;3,5-dimethyl-1,2,4-thiadiazole;2-fluoro-5-methylpyridine;3-methylpyridine;2-methylquinoline;3-methylthiophene
• PubChem CID: 161026320
• Molecular Formula: C61H66Cl7FN18S2
• Molecular Weight: 1382.63 g/mol
• Exact Mass: 1378.30
• IUPAC Name: 2-chloro-4-methylpyrimidine;2,4-dichloro-6-methylpyrimidine;4,6-dichloro-2-methylpyrimidine;2,4-dichloro-6-methyl-1,3,5-triazine;1,5-dimethylpyrazole;3,5-dimethylpyridazine;3,5-dimethyl-1,2,4-thiadiazole;2-fluoro-5-methylpyridine;3-methylpyridine;2-methylquinoline;3-methylthiophene
• SMILES: Cc1cc(Cl)nc(Cl)n1.Cc1ccc(F)nc1.Cc1ccc2ccccc2n1.Cc1cccnc1.Cc1ccnc(Cl)n1.Cc1ccnn1C.Cc1ccsc1.Cc1cnnc(C)c1.Cc1nc(Cl)cc(Cl)n1.Cc1nc(Cl)nc(Cl)n1.Cc1nsc(C)n1
• InChI: InChI=1S/C10H9N.C6H6FN.C6H8N2.C6H7N.2C5H4Cl2N2.C5H5ClN2.C5H8N2.C5H6S.C4H3Cl2N3.C4H6N2S/c1-8-6-7-9-4-2-3-5-10(9)11-8;1-5-2-3-6(7)8-4-5;1-5-3-6(2)8-7-4-5;1-6-3-2-4-7-5-6;1-3-8-4(6)2-5(7)9-3;1-3-2-4(6)9-5(7)8-3;1-4-2-3-7-5(6)8-4;1-5-3-4-6-7(5)2;1-5-2-3-6-4-5;1-2-7-3(5)9-4(6)8-2;1-3-5-4(2)7-6-3/h2-7H,1H3;2-4H,1H3;3-4H,1-2H3;2-5H,1H3;2*2H,1H3;2-3H,1H3;3-4H,1-2H3;2-4H,1H3;1H3;1-2H3
• InChIKey: TZAGHWTXMVELCA-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 224.06 Ų
• H-Bond Acceptors: 20
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1382.63
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylpyrimidine;2,4-dichloro-6-methylpyrimidine;4,6-dichloro-2-methylpyrimidine;2,4-dichloro-6-methyl-1,3,5-triazine;1,5-dimethylpyrazole;3,5-dimethylpyridazine;3,5-dimethyl-1,2,4-thiadiazole;2-fluoro-5-methylpyridine;3-methylpyridine;2-methylquinoline;3-methylthiophene?

The IUPAC name of 2-chloro-4-methylpyrimidine;2,4-dichloro-6-methylpyrimidine;4,6-dichloro-2-methylpyrimidine;2,4-dichloro-6-methyl-1,3,5-triazine;1,5-dimethylpyrazole;3,5-dimethylpyridazine;3,5-dimethyl-1,2,4-thiadiazole;2-fluoro-5-methylpyridine;3-methylpyridine;2-methylquinoline;3-methylthiophene (CID 161026320) is 2-chloro-4-methylpyrimidine;2,4-dichloro-6-methylpyrimidine;4,6-dichloro-2-methylpyrimidine;2,4-dichloro-6-methyl-1,3,5-triazine;1,5-dimethylpyrazole;3,5-dimethylpyridazine;3,5-dimethyl-1,2,4-thiadiazole;2-fluoro-5-methylpyridine;3-methylpyridine;2-methylquinoline;3-methylthiophene.

What is the SMILES notation for 2-chloro-4-methylpyrimidine;2,4-dichloro-6-methylpyrimidine;4,6-dichloro-2-methylpyrimidine;2,4-dichloro-6-methyl-1,3,5-triazine;1,5-dimethylpyrazole;3,5-dimethylpyridazine;3,5-dimethyl-1,2,4-thiadiazole;2-fluoro-5-methylpyridine;3-methylpyridine;2-methylquinoline;3-methylthiophene?

The canonical SMILES for 2-chloro-4-methylpyrimidine;2,4-dichloro-6-methylpyrimidine;4,6-dichloro-2-methylpyrimidine;2,4-dichloro-6-methyl-1,3,5-triazine;1,5-dimethylpyrazole;3,5-dimethylpyridazine;3,5-dimethyl-1,2,4-thiadiazole;2-fluoro-5-methylpyridine;3-methylpyridine;2-methylquinoline;3-methylthiophene is Cc1cc(Cl)nc(Cl)n1.Cc1ccc(F)nc1.Cc1ccc2ccccc2n1.Cc1cccnc1.Cc1ccnc(Cl)n1.Cc1ccnn1C.Cc1ccsc1.Cc1cnnc(C)c1.Cc1nc(Cl)cc(Cl)n1.Cc1nc(Cl)nc(Cl)n1.Cc1nsc(C)n1.

What is the InChIKey of 2-chloro-4-methylpyrimidine;2,4-dichloro-6-methylpyrimidine;4,6-dichloro-2-methylpyrimidine;2,4-dichloro-6-methyl-1,3,5-triazine;1,5-dimethylpyrazole;3,5-dimethylpyridazine;3,5-dimethyl-1,2,4-thiadiazole;2-fluoro-5-methylpyridine;3-methylpyridine;2-methylquinoline;3-methylthiophene?

The InChIKey is TZAGHWTXMVELCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C6H6FN.C6H8N2.C6H7N.2C5H4Cl2N2.C5H5ClN2.C5H8N2.C5H6S.C4H3Cl2N3.C4H6N2S/c1-8-6-7-9-4-2-3-5-10(9)11-8;1-5-2-3-6(7)8-4-5;1-5-3-6(2)8-7-4-5;1-6-3-2-4-7-5-6;1-3-8-4(6)2-5(7)9-3;1-3-2-4(6)9-5(7)8-3;1-4-2-3-7-5(6)8-4;1-5-3-4-6-7(5)2;1-5-2-3-6-4-5;1-2-7-3(5)9-4(6)8-2;1-3-5-4(2)7-6-3/h2-7H,1H3;2-4H,1H3;3-4H,1-2H3;2-5H,1H3;2*2H,1H3;2-3H,1H3;3-4H,1-2H3;2-4H,1H3;1H3;1-2H3.

What are the key properties of 2-chloro-4-methylpyrimidine;2,4-dichloro-6-methylpyrimidine;4,6-dichloro-2-methylpyrimidine;2,4-dichloro-6-methyl-1,3,5-triazine;1,5-dimethylpyrazole;3,5-dimethylpyridazine;3,5-dimethyl-1,2,4-thiadiazole;2-fluoro-5-methylpyridine;3-methylpyridine;2-methylquinoline;3-methylthiophene?

2-chloro-4-methylpyrimidine;2,4-dichloro-6-methylpyrimidine;4,6-dichloro-2-methylpyrimidine;2,4-dichloro-6-methyl-1,3,5-triazine;1,5-dimethylpyrazole;3,5-dimethylpyridazine;3,5-dimethyl-1,2,4-thiadiazole;2-fluoro-5-methylpyridine;3-methylpyridine;2-methylquinoline;3-methylthiophene has a molecular weight of 1382.63 g/mol, XLogP of 17.60, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-methylpyrimidine;2,4-dichloro-6-methylpyrimidine;4,6-dichloro-2-methylpyrimidine;2,4-dichloro-6-methyl-1,3,5-triazine;1,5-dimethylpyrazole;3,5-dimethylpyridazine;3,5-dimethyl-1,2,4-thiadiazole;2-fluoro-5-methylpyridine;3-methylpyridine;2-methylquinoline;3-methylthiophene is sourced from PubChem (CID 161026320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).