bis(2,4-dimethylpyrimidine);bis(4,6-dimethylpyrimidine);4-isocyano-6-methylpyrimidine;1-methylimidazol-2-amine;5-methyl-1H-imidazol-2-amine;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;3-methylpyridazine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;bis(4-methylpyrimidine);4-methylpyrimidine-5-carbonitrile;N-(6-methylpyrimidin-4-yl)formamide;bis((4-methylpyrimidin-5-yl)methanamine);5-methyl-2H-tetrazole

C128H169N59O8S3 — CID 158231680

About bis(2,4-dimethylpyrimidine);bis(4,6-dimethylpyrimidine);4-isocyano-6-methylpyrimidine;1-methylimidazol-2-amine;5-methyl-1H-imidazol-2-amine;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;3-methylpyridazine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;bis(4-methylpyrimidine);4-methylpyrimidine-5-carbonitrile;N-(6-methylpyrimidin-4-yl)formamide;bis((4-methylpyrimidin-5-yl)methanamine);5-methyl-2H-tetrazole

bis(2,4-dimethylpyrimidine);bis(4,6-dimethylpyrimidine);4-isocyano-6-methylpyrimidine;1-methylimidazol-2-amine;5-methyl-1H-imidazol-2-amine;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;3-methylpyridazine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;bis(4-methylpyrimidine);4-methylpyrimidine-5-carbonitrile;N-(6-methylpyrimidin-4-yl)formamide;bis((4-methylpyrimidin-5-yl)methanamine);5-methyl-2H-tetrazole (PubChem CID 158231680) has the molecular formula C128H169N59O8S3 and a molecular weight of 2758.37 g/mol. Its IUPAC name is bis(2,4-dimethylpyrimidine);bis(4,6-dimethylpyrimidine);4-isocyano-6-methylpyrimidine;1-methylimidazol-2-amine;5-methyl-1H-imidazol-2-amine;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;3-methylpyridazine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;bis(4-methylpyrimidine);4-methylpyrimidine-5-carbonitrile;N-(6-methylpyrimidin-4-yl)formamide;bis((4-methylpyrimidin-5-yl)methanamine);5-methyl-2H-tetrazole.

Molecular Properties

• Compound Name: bis(2,4-dimethylpyrimidine);bis(4,6-dimethylpyrimidine);4-isocyano-6-methylpyrimidine;1-methylimidazol-2-amine;5-methyl-1H-imidazol-2-amine;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;3-methylpyridazine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;bis(4-methylpyrimidine);4-methylpyrimidine-5-carbonitrile;N-(6-methylpyrimidin-4-yl)formamide;bis((4-methylpyrimidin-5-yl)methanamine);5-methyl-2H-tetrazole
• PubChem CID: 158231680
• Molecular Formula: C128H169N59O8S3
• Molecular Weight: 2758.37 g/mol
• Exact Mass: 2756.38
• IUPAC Name: bis(2,4-dimethylpyrimidine);bis(4,6-dimethylpyrimidine);4-isocyano-6-methylpyrimidine;1-methylimidazol-2-amine;5-methyl-1H-imidazol-2-amine;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;3-methylpyridazine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;bis(4-methylpyrimidine);4-methylpyrimidine-5-carbonitrile;N-(6-methylpyrimidin-4-yl)formamide;bis((4-methylpyrimidin-5-yl)methanamine);5-methyl-2H-tetrazole
• SMILES: Cc1cc(C)ncn1.Cc1cc(C)ncn1.Cc1cc(N)ncn1.Cc1cc(NC=O)ncn1.Cc1cccnn1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1ccnc(N)n1.Cc1ccncc1C(N)=O.Cc1ccncc1S(C)(=O)=O.Cc1ccncc1S(N)(=O)=O.Cc1ccncn1.Cc1ccncn1.Cc1cnc(N)[nH]1.Cc1cnc[nH]1.Cc1ncncc1C#N.Cc1ncncc1CN.Cc1ncncc1CN.Cc1ncncc1N.Cc1ncncc1S(C)(=O)=O.Cc1nn[nH]n1.Cn1ccnc1.Cn1ccnc1N.[C-]#[N+]c1cc(C)ncn1
• InChI: InChI=1S/C7H8N2O.C7H9NO2S.C6H7N3O.2C6H9N3.2C6H5N3.2C6H8N2O2S.4C6H8N2.3C5H7N3.3C5H6N2.2C4H7N3.2C4H6N2.C2H4N4/c1-5-2-3-9-4-6(5)7(8)10;1-6-3-4-8-5-7(6)11(2,9)10;1-5-2-6(9-4-10)8-3-7-5;3*1-5-6(2-7)3-8-4-9-5;1-5-3-6(7-2)9-4-8-5;1-5-6(11(2,9)10)3-7-4-8-5;1-5-2-3-8-4-6(5)11(7,9)10;2*1-5-3-6(2)8-4-7-5;2*1-5-3-4-7-6(2)8-5;1-4-5(6)2-7-3-8-4;1-4-2-5(6)8-3-7-4;1-4-2-3-7-5(6)8-4;2*1-5-2-3-6-4-7-5;1-5-3-2-4-6-7-5;1-7-3-2-6-4(7)5;1-3-2-6-4(5)7-3;1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-2-3-5-6-4-2/h2-4H,1H3,(H2,8,10);3-5H,1-2H3;2-4H,1H3,(H,7,8,9,10);2*3-4H,2,7H2,1H3;2*3-4H,1H3;3-4H,1-2H3;2-4H,1H3,(H2,7,9,10);4*3-4H,1-2H3;2-3H,6H2,1H3;2*2-3H,1H3,(H2,6,7,8);3*2-4H,1H3;2-3H,1H3,(H2,5,6);2H,1H3,(H3,5,6,7);2-3H,1H3,(H,5,6);2-4H,1H3;1H3,(H,3,4,5,6)
• InChIKey: GELKQCNTVCSXHY-UHFFFAOYSA-N
• XLogP: 13.12
• TPSA: 1009.53 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 60
• Rotatable Bonds: 8
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2758.37
LogP ≤ 5	13.12
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	60

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethylpyrimidine);bis(4,6-dimethylpyrimidine);4-isocyano-6-methylpyrimidine;1-methylimidazol-2-amine;5-methyl-1H-imidazol-2-amine;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;3-methylpyridazine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;bis(4-methylpyrimidine);4-methylpyrimidine-5-carbonitrile;N-(6-methylpyrimidin-4-yl)formamide;bis((4-methylpyrimidin-5-yl)methanamine);5-methyl-2H-tetrazole?

The IUPAC name of bis(2,4-dimethylpyrimidine);bis(4,6-dimethylpyrimidine);4-isocyano-6-methylpyrimidine;1-methylimidazol-2-amine;5-methyl-1H-imidazol-2-amine;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;3-methylpyridazine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;bis(4-methylpyrimidine);4-methylpyrimidine-5-carbonitrile;N-(6-methylpyrimidin-4-yl)formamide;bis((4-methylpyrimidin-5-yl)methanamine);5-methyl-2H-tetrazole (CID 158231680) is bis(2,4-dimethylpyrimidine);bis(4,6-dimethylpyrimidine);4-isocyano-6-methylpyrimidine;1-methylimidazol-2-amine;5-methyl-1H-imidazol-2-amine;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;3-methylpyridazine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;bis(4-methylpyrimidine);4-methylpyrimidine-5-carbonitrile;N-(6-methylpyrimidin-4-yl)formamide;bis((4-methylpyrimidin-5-yl)methanamine);5-methyl-2H-tetrazole.

What is the SMILES notation for bis(2,4-dimethylpyrimidine);bis(4,6-dimethylpyrimidine);4-isocyano-6-methylpyrimidine;1-methylimidazol-2-amine;5-methyl-1H-imidazol-2-amine;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;3-methylpyridazine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;bis(4-methylpyrimidine);4-methylpyrimidine-5-carbonitrile;N-(6-methylpyrimidin-4-yl)formamide;bis((4-methylpyrimidin-5-yl)methanamine);5-methyl-2H-tetrazole?

The canonical SMILES for bis(2,4-dimethylpyrimidine);bis(4,6-dimethylpyrimidine);4-isocyano-6-methylpyrimidine;1-methylimidazol-2-amine;5-methyl-1H-imidazol-2-amine;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;3-methylpyridazine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;bis(4-methylpyrimidine);4-methylpyrimidine-5-carbonitrile;N-(6-methylpyrimidin-4-yl)formamide;bis((4-methylpyrimidin-5-yl)methanamine);5-methyl-2H-tetrazole is Cc1cc(C)ncn1.Cc1cc(C)ncn1.Cc1cc(N)ncn1.Cc1cc(NC=O)ncn1.Cc1cccnn1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1ccnc(N)n1.Cc1ccncc1C(N)=O.Cc1ccncc1S(C)(=O)=O.Cc1ccncc1S(N)(=O)=O.Cc1ccncn1.Cc1ccncn1.Cc1cnc(N)[nH]1.Cc1cnc[nH]1.Cc1ncncc1C#N.Cc1ncncc1CN.Cc1ncncc1CN.Cc1ncncc1N.Cc1ncncc1S(C)(=O)=O.Cc1nn[nH]n1.Cn1ccnc1.Cn1ccnc1N.[C-]#[N+]c1cc(C)ncn1.

What is the InChIKey of bis(2,4-dimethylpyrimidine);bis(4,6-dimethylpyrimidine);4-isocyano-6-methylpyrimidine;1-methylimidazol-2-amine;5-methyl-1H-imidazol-2-amine;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;3-methylpyridazine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;bis(4-methylpyrimidine);4-methylpyrimidine-5-carbonitrile;N-(6-methylpyrimidin-4-yl)formamide;bis((4-methylpyrimidin-5-yl)methanamine);5-methyl-2H-tetrazole?

The InChIKey is GELKQCNTVCSXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.C7H9NO2S.C6H7N3O.2C6H9N3.2C6H5N3.2C6H8N2O2S.4C6H8N2.3C5H7N3.3C5H6N2.2C4H7N3.2C4H6N2.C2H4N4/c1-5-2-3-9-4-6(5)7(8)10;1-6-3-4-8-5-7(6)11(2,9)10;1-5-2-6(9-4-10)8-3-7-5;3*1-5-6(2-7)3-8-4-9-5;1-5-3-6(7-2)9-4-8-5;1-5-6(11(2,9)10)3-7-4-8-5;1-5-2-3-8-4-6(5)11(7,9)10;2*1-5-3-6(2)8-4-7-5;2*1-5-3-4-7-6(2)8-5;1-4-5(6)2-7-3-8-4;1-4-2-5(6)8-3-7-4;1-4-2-3-7-5(6)8-4;2*1-5-2-3-6-4-7-5;1-5-3-2-4-6-7-5;1-7-3-2-6-4(7)5;1-3-2-6-4(5)7-3;1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-2-3-5-6-4-2/h2-4H,1H3,(H2,8,10);3-5H,1-2H3;2-4H,1H3,(H,7,8,9,10);2*3-4H,2,7H2,1H3;2*3-4H,1H3;3-4H,1-2H3;2-4H,1H3,(H2,7,9,10);4*3-4H,1-2H3;2-3H,6H2,1H3;2*2-3H,1H3,(H2,6,7,8);3*2-4H,1H3;2-3H,1H3,(H2,5,6);2H,1H3,(H3,5,6,7);2-3H,1H3,(H,5,6);2-4H,1H3;1H3,(H,3,4,5,6).

What are the key properties of bis(2,4-dimethylpyrimidine);bis(4,6-dimethylpyrimidine);4-isocyano-6-methylpyrimidine;1-methylimidazol-2-amine;5-methyl-1H-imidazol-2-amine;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;3-methylpyridazine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;bis(4-methylpyrimidine);4-methylpyrimidine-5-carbonitrile;N-(6-methylpyrimidin-4-yl)formamide;bis((4-methylpyrimidin-5-yl)methanamine);5-methyl-2H-tetrazole?

bis(2,4-dimethylpyrimidine);bis(4,6-dimethylpyrimidine);4-isocyano-6-methylpyrimidine;1-methylimidazol-2-amine;5-methyl-1H-imidazol-2-amine;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;3-methylpyridazine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;bis(4-methylpyrimidine);4-methylpyrimidine-5-carbonitrile;N-(6-methylpyrimidin-4-yl)formamide;bis((4-methylpyrimidin-5-yl)methanamine);5-methyl-2H-tetrazole has a molecular weight of 2758.37 g/mol, XLogP of 13.12, 8 rotatable bonds, 13 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,4-dimethylpyrimidine);bis(4,6-dimethylpyrimidine);4-isocyano-6-methylpyrimidine;1-methylimidazol-2-amine;5-methyl-1H-imidazol-2-amine;1-methylimidazole;5-methyl-1H-imidazole;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;3-methylpyridazine;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;bis(4-methylpyrimidine);4-methylpyrimidine-5-carbonitrile;N-(6-methylpyrimidin-4-yl)formamide;bis((4-methylpyrimidin-5-yl)methanamine);5-methyl-2H-tetrazole is sourced from PubChem (CID 158231680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).