5-bromo-3-fluoro-6-methylpyridin-2-amine;N-(5-bromo-3-fluoro-6-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chlorobenzenethiol;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane;dihydrate;hydrochloride

C99H116BBr2Cl5F6N16O10S4 — CID 157227517

About 5-bromo-3-fluoro-6-methylpyridin-2-amine;N-(5-bromo-3-fluoro-6-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chlorobenzenethiol;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane;dihydrate;hydrochloride

5-bromo-3-fluoro-6-methylpyridin-2-amine;N-(5-bromo-3-fluoro-6-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chlorobenzenethiol;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane;dihydrate;hydrochloride (PubChem CID 157227517) has the molecular formula C99H116BBr2Cl5F6N16O10S4 and a molecular weight of 2280.26 g/mol. Its IUPAC name is 5-bromo-3-fluoro-6-methylpyridin-2-amine;N-(5-bromo-3-fluoro-6-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chlorobenzenethiol;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane;dihydrate;hydrochloride.

Molecular Properties

• Compound Name: 5-bromo-3-fluoro-6-methylpyridin-2-amine;N-(5-bromo-3-fluoro-6-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chlorobenzenethiol;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane;dihydrate;hydrochloride
• PubChem CID: 157227517
• Molecular Formula: C99H116BBr2Cl5F6N16O10S4
• Molecular Weight: 2280.26 g/mol
• Exact Mass: 2274.47
• IUPAC Name: 5-bromo-3-fluoro-6-methylpyridin-2-amine;N-(5-bromo-3-fluoro-6-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chlorobenzenethiol;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane;dihydrate;hydrochloride
• SMILES: C.C.C.CC1(C)OB(c2ccc3nc(F)ncc3c2)OC1(C)C.CN(C)C1CCC(N)CC1.Cc1nc(CS(=O)(=O)c2ccccc2Cl)c(F)cc1-c1ccc2nc(F)ncc2c1.Cc1nc(CS(=O)(=O)c2ccccc2Cl)c(F)cc1-c1ccc2nc(NC3CCC(N(C)C)CC3)ncc2c1.Cc1nc(N)c(F)cc1Br.Cc1nc(NS(=O)(=O)c2ccccc2Cl)c(F)cc1Br.Cl.O.O.Sc1ccccc1Cl
• InChI: InChI=1S/C29H31ClFN5O2S.C21H14ClF2N3O2S.C14H16BFN2O2.C12H9BrClFN2O2S.C8H18N2.C6H6BrFN2.C6H5ClS.3CH4.ClH.2H2O/c1-18-23(15-25(31)27(33-18)17-39(37,38)28-7-5-4-6-24(28)30)19-8-13-26-20(14-19)16-32-29(35-26)34-21-9-11-22(12-10-21)36(2)3;1-12-15(13-6-7-18-14(8-13)10-25-21(24)27-18)9-17(23)19(26-12)11-30(28,29)20-5-3-2-4-16(20)22;1-13(2)14(3,4)20-15(19-13)10-5-6-11-9(7-10)8-17-12(16)18-11;1-7-8(13)6-10(15)12(16-7)17-20(18,19)11-5-3-2-4-9(11)14;1-10(2)8-5-3-7(9)4-6-8;1-3-4(7)2-5(8)6(9)10-3;7-5-3-1-2-4-6(5)8;;;;;;/h4-8,13-16,21-22H,9-12,17H2,1-3H3,(H,32,34,35);2-10H,11H2,1H3;5-8H,1-4H3;2-6H,1H3,(H,16,17);7-8H,3-6,9H2,1-2H3;2H,1H3,(H2,9,10);1-4,8H;3*1H4;1H;2*1H2
• InChIKey: UGYRJZNWCRDSIV-UHFFFAOYSA-N
• XLogP: 22.77
• TPSA: 395.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2280.26
LogP ≤ 5	22.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-6-methylpyridin-2-amine;N-(5-bromo-3-fluoro-6-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chlorobenzenethiol;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane;dihydrate;hydrochloride?

The IUPAC name of 5-bromo-3-fluoro-6-methylpyridin-2-amine;N-(5-bromo-3-fluoro-6-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chlorobenzenethiol;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane;dihydrate;hydrochloride (CID 157227517) is 5-bromo-3-fluoro-6-methylpyridin-2-amine;N-(5-bromo-3-fluoro-6-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chlorobenzenethiol;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane;dihydrate;hydrochloride.

What is the SMILES notation for 5-bromo-3-fluoro-6-methylpyridin-2-amine;N-(5-bromo-3-fluoro-6-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chlorobenzenethiol;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane;dihydrate;hydrochloride?

The canonical SMILES for 5-bromo-3-fluoro-6-methylpyridin-2-amine;N-(5-bromo-3-fluoro-6-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chlorobenzenethiol;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane;dihydrate;hydrochloride is C.C.C.CC1(C)OB(c2ccc3nc(F)ncc3c2)OC1(C)C.CN(C)C1CCC(N)CC1.Cc1nc(CS(=O)(=O)c2ccccc2Cl)c(F)cc1-c1ccc2nc(F)ncc2c1.Cc1nc(CS(=O)(=O)c2ccccc2Cl)c(F)cc1-c1ccc2nc(NC3CCC(N(C)C)CC3)ncc2c1.Cc1nc(N)c(F)cc1Br.Cc1nc(NS(=O)(=O)c2ccccc2Cl)c(F)cc1Br.Cl.O.O.Sc1ccccc1Cl.

What is the InChIKey of 5-bromo-3-fluoro-6-methylpyridin-2-amine;N-(5-bromo-3-fluoro-6-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chlorobenzenethiol;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane;dihydrate;hydrochloride?

The InChIKey is UGYRJZNWCRDSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClFN5O2S.C21H14ClF2N3O2S.C14H16BFN2O2.C12H9BrClFN2O2S.C8H18N2.C6H6BrFN2.C6H5ClS.3CH4.ClH.2H2O/c1-18-23(15-25(31)27(33-18)17-39(37,38)28-7-5-4-6-24(28)30)19-8-13-26-20(14-19)16-32-29(35-26)34-21-9-11-22(12-10-21)36(2)3;1-12-15(13-6-7-18-14(8-13)10-25-21(24)27-18)9-17(23)19(26-12)11-30(28,29)20-5-3-2-4-16(20)22;1-13(2)14(3,4)20-15(19-13)10-5-6-11-9(7-10)8-17-12(16)18-11;1-7-8(13)6-10(15)12(16-7)17-20(18,19)11-5-3-2-4-9(11)14;1-10(2)8-5-3-7(9)4-6-8;1-3-4(7)2-5(8)6(9)10-3;7-5-3-1-2-4-6(5)8;;;;;;/h4-8,13-16,21-22H,9-12,17H2,1-3H3,(H,32,34,35);2-10H,11H2,1H3;5-8H,1-4H3;2-6H,1H3,(H,16,17);7-8H,3-6,9H2,1-2H3;2H,1H3,(H2,9,10);1-4,8H;3*1H4;1H;2*1H2.

What are the key properties of 5-bromo-3-fluoro-6-methylpyridin-2-amine;N-(5-bromo-3-fluoro-6-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chlorobenzenethiol;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane;dihydrate;hydrochloride?

5-bromo-3-fluoro-6-methylpyridin-2-amine;N-(5-bromo-3-fluoro-6-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chlorobenzenethiol;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane;dihydrate;hydrochloride has a molecular weight of 2280.26 g/mol, XLogP of 22.77, 16 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-fluoro-6-methylpyridin-2-amine;N-(5-bromo-3-fluoro-6-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide;2-chlorobenzenethiol;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane;dihydrate;hydrochloride is sourced from PubChem (CID 157227517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).