bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);bis(2,4-dimethylpyrimidine);1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine;4-methylpyridine-3-carbonitrile;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-2-pyridinyl)methanamine;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;tris(1,2-xylene)

C220H272N44O8S2 — CID 158320871

About bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);bis(2,4-dimethylpyrimidine);1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine;4-methylpyridine-3-carbonitrile;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-2-pyridinyl)methanamine;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;tris(1,2-xylene)

bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);bis(2,4-dimethylpyrimidine);1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine;4-methylpyridine-3-carbonitrile;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-2-pyridinyl)methanamine;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;tris(1,2-xylene) (PubChem CID 158320871) has the molecular formula C220H272N44O8S2 and a molecular weight of 3725.03 g/mol. Its IUPAC name is bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);bis(2,4-dimethylpyrimidine);1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine;4-methylpyridine-3-carbonitrile;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-2-pyridinyl)methanamine;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;tris(1,2-xylene).

Molecular Properties

• Compound Name: bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);bis(2,4-dimethylpyrimidine);1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine;4-methylpyridine-3-carbonitrile;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-2-pyridinyl)methanamine;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;tris(1,2-xylene)
• PubChem CID: 158320871
• Molecular Formula: C220H272N44O8S2
• Molecular Weight: 3725.03 g/mol
• Exact Mass: 3722.17
• IUPAC Name: bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);bis(2,4-dimethylpyrimidine);1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine;4-methylpyridine-3-carbonitrile;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-2-pyridinyl)methanamine;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;tris(1,2-xylene)
• SMILES: Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C#N.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN1CCCC1.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(C(N)=O)c1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1ccnc(CN)c1.Cc1ccnc(CN)n1.Cc1ccnc(N)c1.Cc1ccnc(N)n1.Cc1ccncc1.Cc1ccncc1C.Cc1ccncc1C.Cc1ccncc1C.Cc1ccncc1C#N.Cc1ccncc1C(N)=O.Cc1ccncc1CN.Cc1ccncc1N.Cc1ccncc1S(N)(=O)=O.Cc1ccncn1.[C-]#[N+]c1cc(C)ccn1.[C-]#[N+]c1cccc(C)c1
• InChI: InChI=1S/C12H17N.2C8H9NO.C8H7N.2C8H11N.C8H7N.3C8H10.2C7H8N2O.C7H6N2.C7H10N2.C7H6N2.C7H10N2.C7H9NO2S.5C7H9N.C6H9N3.C6H8N2O2S.4C6H8N2.C6H7N.C5H7N3.C5H6N2/c1-11-6-2-3-7-12(11)10-13-8-4-5-9-13;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-4-3-5-8(6-7)9-2;1-7-3-2-4-8(5-7)6-9;2*1-7-4-2-3-5-8(7)6-9;3*1-7-5-3-4-6-8(7)2;1-5-2-3-9-4-6(5)7(8)10;1-5-2-3-9-6(4-5)7(8)10;1-6-3-4-9-7(5-6)8-2;2*1-6-2-3-9-5-7(6)4-8;1-6-2-3-9-7(4-6)5-8;1-6-4-2-3-5-7(6)11(8,9)10;3*1-6-3-4-8-5-7(6)2;2*1-6-3-4-8-7(2)5-6;1-5-2-3-8-6(4-7)9-5;1-5-2-3-8-4-6(5)11(7,9)10;2*1-5-3-4-7-6(2)8-5;1-5-2-3-8-4-6(5)7;1-5-2-3-8-6(7)4-5;1-6-2-4-7-5-3-6;1-4-2-3-7-5(6)8-4;1-5-2-3-6-4-7-5/h2-3,6-7H,4-5,8-10H2,1H3;2*2-5H,1H3,(H2,9,10);3-6H,1H3;2*2-5H,6,9H2,1H3;2-5H,1H3;3*3-6H,1-2H3;2*2-4H,1H3,(H2,8,10);3-5H,1H3;2-3,5H,4,8H2,1H3;2-3,5H,1H3;2-4H,5,8H2,1H3;2-5H,1H3,(H2,8,9,10);5*3-5H,1-2H3;2-3H,4,7H2,1H3;2-4H,1H3,(H2,7,9,10);2*3-4H,1-2H3;2-4H,7H2,1H3;2-4H,1H3,(H2,7,8);2-5H,1H3;2-3H,1H3,(H2,6,7,8);2-4H,1H3
• InChIKey: GOVHKXBBTLPNEK-UHFFFAOYSA-N
• XLogP: 40.98
• TPSA: 882.63 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 44
• Rotatable Bonds: 13
• Heavy Atoms: 274
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3725.03
LogP ≤ 5	40.98
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);bis(2,4-dimethylpyrimidine);1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine;4-methylpyridine-3-carbonitrile;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-2-pyridinyl)methanamine;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;tris(1,2-xylene)?

The IUPAC name of bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);bis(2,4-dimethylpyrimidine);1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine;4-methylpyridine-3-carbonitrile;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-2-pyridinyl)methanamine;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;tris(1,2-xylene) (CID 158320871) is bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);bis(2,4-dimethylpyrimidine);1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine;4-methylpyridine-3-carbonitrile;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-2-pyridinyl)methanamine;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;tris(1,2-xylene).

What is the SMILES notation for bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);bis(2,4-dimethylpyrimidine);1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine;4-methylpyridine-3-carbonitrile;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-2-pyridinyl)methanamine;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;tris(1,2-xylene)?

The canonical SMILES for bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);bis(2,4-dimethylpyrimidine);1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine;4-methylpyridine-3-carbonitrile;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-2-pyridinyl)methanamine;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;tris(1,2-xylene) is Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C#N.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN1CCCC1.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(C(N)=O)c1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1ccnc(CN)c1.Cc1ccnc(CN)n1.Cc1ccnc(N)c1.Cc1ccnc(N)n1.Cc1ccncc1.Cc1ccncc1C.Cc1ccncc1C.Cc1ccncc1C.Cc1ccncc1C#N.Cc1ccncc1C(N)=O.Cc1ccncc1CN.Cc1ccncc1N.Cc1ccncc1S(N)(=O)=O.Cc1ccncn1.[C-]#[N+]c1cc(C)ccn1.[C-]#[N+]c1cccc(C)c1.

What is the InChIKey of bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);bis(2,4-dimethylpyrimidine);1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine;4-methylpyridine-3-carbonitrile;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-2-pyridinyl)methanamine;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;tris(1,2-xylene)?

The InChIKey is GOVHKXBBTLPNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.2C8H9NO.C8H7N.2C8H11N.C8H7N.3C8H10.2C7H8N2O.C7H6N2.C7H10N2.C7H6N2.C7H10N2.C7H9NO2S.5C7H9N.C6H9N3.C6H8N2O2S.4C6H8N2.C6H7N.C5H7N3.C5H6N2/c1-11-6-2-3-7-12(11)10-13-8-4-5-9-13;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-4-3-5-8(6-7)9-2;1-7-3-2-4-8(5-7)6-9;2*1-7-4-2-3-5-8(7)6-9;3*1-7-5-3-4-6-8(7)2;1-5-2-3-9-4-6(5)7(8)10;1-5-2-3-9-6(4-5)7(8)10;1-6-3-4-9-7(5-6)8-2;2*1-6-2-3-9-5-7(6)4-8;1-6-2-3-9-7(4-6)5-8;1-6-4-2-3-5-7(6)11(8,9)10;3*1-6-3-4-8-5-7(6)2;2*1-6-3-4-8-7(2)5-6;1-5-2-3-8-6(4-7)9-5;1-5-2-3-8-4-6(5)11(7,9)10;2*1-5-3-4-7-6(2)8-5;1-5-2-3-8-4-6(5)7;1-5-2-3-8-6(7)4-5;1-6-2-4-7-5-3-6;1-4-2-3-7-5(6)8-4;1-5-2-3-6-4-7-5/h2-3,6-7H,4-5,8-10H2,1H3;2*2-5H,1H3,(H2,9,10);3-6H,1H3;2*2-5H,6,9H2,1H3;2-5H,1H3;3*3-6H,1-2H3;2*2-4H,1H3,(H2,8,10);3-5H,1H3;2-3,5H,4,8H2,1H3;2-3,5H,1H3;2-4H,5,8H2,1H3;2-5H,1H3,(H2,8,9,10);5*3-5H,1-2H3;2-3H,4,7H2,1H3;2-4H,1H3,(H2,7,9,10);2*3-4H,1-2H3;2-4H,7H2,1H3;2-4H,1H3,(H2,7,8);2-5H,1H3;2-3H,1H3,(H2,6,7,8);2-4H,1H3.

What are the key properties of bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);bis(2,4-dimethylpyrimidine);1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine;4-methylpyridine-3-carbonitrile;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-2-pyridinyl)methanamine;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;tris(1,2-xylene)?

bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);bis(2,4-dimethylpyrimidine);1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine;4-methylpyridine-3-carbonitrile;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-2-pyridinyl)methanamine;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;tris(1,2-xylene) has a molecular weight of 3725.03 g/mol, XLogP of 40.98, 13 rotatable bonds, 14 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);bis(2,4-dimethylpyrimidine);1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine;4-methylpyridine-3-carbonitrile;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-2-pyridinyl)methanamine;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;tris(1,2-xylene) is sourced from PubChem (CID 158320871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).