benzene-1,2-diamine;3-chloropentane-2,4-dione;(E)-3-(dimethylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one;ethanol;guanidine;methane;methyl 6-bromopyridine-3-carboxylate;1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid;methyl 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;pyridin-2-amine;hydrochloride

C99H109BrCl2N30O11 — CID 159201281

About benzene-1,2-diamine;3-chloropentane-2,4-dione;(E)-3-(dimethylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one;ethanol;guanidine;methane;methyl 6-bromopyridine-3-carboxylate;1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid;methyl 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;pyridin-2-amine;hydrochloride

benzene-1,2-diamine;3-chloropentane-2,4-dione;(E)-3-(dimethylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one;ethanol;guanidine;methane;methyl 6-bromopyridine-3-carboxylate;1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid;methyl 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;pyridin-2-amine;hydrochloride (PubChem CID 159201281) has the molecular formula C99H109BrCl2N30O11 and a molecular weight of 2045.97 g/mol. Its IUPAC name is benzene-1,2-diamine;3-chloropentane-2,4-dione;(E)-3-(dimethylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one;ethanol;guanidine;methane;methyl 6-bromopyridine-3-carboxylate;1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid;methyl 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;pyridin-2-amine;hydrochloride.

Molecular Properties

• Compound Name: benzene-1,2-diamine;3-chloropentane-2,4-dione;(E)-3-(dimethylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one;ethanol;guanidine;methane;methyl 6-bromopyridine-3-carboxylate;1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid;methyl 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;pyridin-2-amine;hydrochloride
• PubChem CID: 159201281
• Molecular Formula: C99H109BrCl2N30O11
• Molecular Weight: 2045.97 g/mol
• Exact Mass: 2042.75
• IUPAC Name: benzene-1,2-diamine;3-chloropentane-2,4-dione;(E)-3-(dimethylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one;ethanol;guanidine;methane;methyl 6-bromopyridine-3-carboxylate;1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid;methyl 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;pyridin-2-amine;hydrochloride
• SMILES: C.CC(=O)C(Cl)C(C)=O.CC(=O)c1c(C)nc2ccccn12.CCO.COC(=O)c1ccc(Br)nc1.COC(=O)c1ccc(Nc2nccc(-c3c(C)nc4ccccn34)n2)nc1.Cc1nc2ccccn2c1-c1ccnc(N)n1.Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)O)cn2)n1.Cc1nc2ccccn2c1C(=O)/C=C/N(C)C.Cl.Nc1ccccc1N.Nc1ccccn1.[H]N=C(N)N
• InChI: InChI=1S/C19H16N6O2.C18H14N6O2.C13H15N3O.C12H11N5.C10H10N2O.C7H6BrNO2.C6H8N2.C5H7ClO2.C5H6N2.C2H6O.CH5N3.CH4.ClH/c1-12-17(25-10-4-3-5-16(25)22-12)14-8-9-20-19(23-14)24-15-7-6-13(11-21-15)18(26)27-2;1-11-16(24-9-3-2-4-15(24)21-11)13-7-8-19-18(22-13)23-14-6-5-12(10-20-14)17(25)26;1-10-13(11(17)7-9-15(2)3)16-8-5-4-6-12(16)14-10;1-8-11(9-5-6-14-12(13)16-9)17-7-3-2-4-10(17)15-8;1-7-10(8(2)13)12-6-4-3-5-9(12)11-7;1-11-7(10)5-2-3-6(8)9-4-5;7-5-3-1-2-4-6(5)8;1-3(7)5(6)4(2)8;6-5-3-1-2-4-7-5;1-2-3;2-1(3)4;;/h3-11H,1-2H3,(H,20,21,23,24);2-10H,1H3,(H,25,26)(H,19,20,22,23);4-9H,1-3H3;2-7H,1H3,(H2,13,14,16);3-6H,1-2H3;2-4H,1H3;1-4H,7-8H2;5H,1-2H3;1-4H,(H2,6,7);3H,2H2,1H3;(H5,2,3,4);1H4;1H/b;;9-7+
• InChIKey: XYJUIABXDVLFKR-OKAAFKFHSA-N
• XLogP: 15.20
• TPSA: 601.08 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 16
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2045.97
LogP ≤ 5	15.20
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;3-chloropentane-2,4-dione;(E)-3-(dimethylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one;ethanol;guanidine;methane;methyl 6-bromopyridine-3-carboxylate;1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid;methyl 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;pyridin-2-amine;hydrochloride?

The IUPAC name of benzene-1,2-diamine;3-chloropentane-2,4-dione;(E)-3-(dimethylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one;ethanol;guanidine;methane;methyl 6-bromopyridine-3-carboxylate;1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid;methyl 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;pyridin-2-amine;hydrochloride (CID 159201281) is benzene-1,2-diamine;3-chloropentane-2,4-dione;(E)-3-(dimethylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one;ethanol;guanidine;methane;methyl 6-bromopyridine-3-carboxylate;1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid;methyl 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;pyridin-2-amine;hydrochloride.

What is the SMILES notation for benzene-1,2-diamine;3-chloropentane-2,4-dione;(E)-3-(dimethylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one;ethanol;guanidine;methane;methyl 6-bromopyridine-3-carboxylate;1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid;methyl 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;pyridin-2-amine;hydrochloride?

The canonical SMILES for benzene-1,2-diamine;3-chloropentane-2,4-dione;(E)-3-(dimethylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one;ethanol;guanidine;methane;methyl 6-bromopyridine-3-carboxylate;1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid;methyl 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;pyridin-2-amine;hydrochloride is C.CC(=O)C(Cl)C(C)=O.CC(=O)c1c(C)nc2ccccn12.CCO.COC(=O)c1ccc(Br)nc1.COC(=O)c1ccc(Nc2nccc(-c3c(C)nc4ccccn34)n2)nc1.Cc1nc2ccccn2c1-c1ccnc(N)n1.Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)O)cn2)n1.Cc1nc2ccccn2c1C(=O)/C=C/N(C)C.Cl.Nc1ccccc1N.Nc1ccccn1.[H]N=C(N)N.

What is the InChIKey of benzene-1,2-diamine;3-chloropentane-2,4-dione;(E)-3-(dimethylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one;ethanol;guanidine;methane;methyl 6-bromopyridine-3-carboxylate;1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid;methyl 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;pyridin-2-amine;hydrochloride?

The InChIKey is XYJUIABXDVLFKR-OKAAFKFHSA-N. The full InChI is InChI=1S/C19H16N6O2.C18H14N6O2.C13H15N3O.C12H11N5.C10H10N2O.C7H6BrNO2.C6H8N2.C5H7ClO2.C5H6N2.C2H6O.CH5N3.CH4.ClH/c1-12-17(25-10-4-3-5-16(25)22-12)14-8-9-20-19(23-14)24-15-7-6-13(11-21-15)18(26)27-2;1-11-16(24-9-3-2-4-15(24)21-11)13-7-8-19-18(22-13)23-14-6-5-12(10-20-14)17(25)26;1-10-13(11(17)7-9-15(2)3)16-8-5-4-6-12(16)14-10;1-8-11(9-5-6-14-12(13)16-9)17-7-3-2-4-10(17)15-8;1-7-10(8(2)13)12-6-4-3-5-9(12)11-7;1-11-7(10)5-2-3-6(8)9-4-5;7-5-3-1-2-4-6(5)8;1-3(7)5(6)4(2)8;6-5-3-1-2-4-7-5;1-2-3;2-1(3)4;;/h3-11H,1-2H3,(H,20,21,23,24);2-10H,1H3,(H,25,26)(H,19,20,22,23);4-9H,1-3H3;2-7H,1H3,(H2,13,14,16);3-6H,1-2H3;2-4H,1H3;1-4H,7-8H2;5H,1-2H3;1-4H,(H2,6,7);3H,2H2,1H3;(H5,2,3,4);1H4;1H/b;;9-7+;;;;;;;;;;.

What are the key properties of benzene-1,2-diamine;3-chloropentane-2,4-dione;(E)-3-(dimethylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one;ethanol;guanidine;methane;methyl 6-bromopyridine-3-carboxylate;1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid;methyl 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;pyridin-2-amine;hydrochloride?

benzene-1,2-diamine;3-chloropentane-2,4-dione;(E)-3-(dimethylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one;ethanol;guanidine;methane;methyl 6-bromopyridine-3-carboxylate;1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid;methyl 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;pyridin-2-amine;hydrochloride has a molecular weight of 2045.97 g/mol, XLogP of 15.20, 16 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for benzene-1,2-diamine;3-chloropentane-2,4-dione;(E)-3-(dimethylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one;ethanol;guanidine;methane;methyl 6-bromopyridine-3-carboxylate;1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine;6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid;methyl 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylate;pyridin-2-amine;hydrochloride is sourced from PubChem (CID 159201281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).