3-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methylaniline;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-methylpyrimidine;N-[2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-yl]acetamide;4,6-dimethyl-2-[[4-(trifluoromethyl)-3-pyridinyl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(4-ethyl-1-methylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-ethyl-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride

C89H93Cl7F4N22O3S7 — CID 161208232

About 3-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methylaniline;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-methylpyrimidine;N-[2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-yl]acetamide;4,6-dimethyl-2-[[4-(trifluoromethyl)-3-pyridinyl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(4-ethyl-1-methylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-ethyl-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride

3-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methylaniline;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-methylpyrimidine;N-[2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-yl]acetamide;4,6-dimethyl-2-[[4-(trifluoromethyl)-3-pyridinyl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(4-ethyl-1-methylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-ethyl-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 161208232) has the molecular formula C89H93Cl7F4N22O3S7 and a molecular weight of 2067.51 g/mol. Its IUPAC name is 3-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methylaniline;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-methylpyrimidine;N-[2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-yl]acetamide;4,6-dimethyl-2-[[4-(trifluoromethyl)-3-pyridinyl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(4-ethyl-1-methylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-ethyl-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

• Compound Name: 3-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methylaniline;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-methylpyrimidine;N-[2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-yl]acetamide;4,6-dimethyl-2-[[4-(trifluoromethyl)-3-pyridinyl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(4-ethyl-1-methylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-ethyl-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride
• PubChem CID: 161208232
• Molecular Formula: C89H93Cl7F4N22O3S7
• Molecular Weight: 2067.51 g/mol
• Exact Mass: 2062.36
• IUPAC Name: 3-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methylaniline;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-methylpyrimidine;N-[2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-yl]acetamide;4,6-dimethyl-2-[[4-(trifluoromethyl)-3-pyridinyl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(4-ethyl-1-methylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-ethyl-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride
• SMILES: CC(=O)Nc1cc(C)nc(SCc2c(Cl)cncc2Cl)n1.CCc1cn(C)nc1CSc1nc(C)cc(C)n1.CCc1cncc(F)c1CSc1nc(C)cc(=O)[nH]1.CCc1ncccc1CSc1nc(C)cc(=O)[nH]1.Cc1cc(C)nc(SCc2cnccc2C(F)(F)F)n1.Cc1cc(N)cc(SCc2c(Cl)cncc2Cl)c1.Cc1ccnc(SCc2c(Cl)cncc2Cl)n1.Cl
• InChI: InChI=1S/C13H12Cl2N4OS.C13H12Cl2N2S.C13H12F3N3S.C13H14FN3OS.C13H18N4S.C13H15N3OS.C11H9Cl2N3S.ClH/c1-7-3-12(18-8(2)20)19-13(17-7)21-6-9-10(14)4-16-5-11(9)15;1-8-2-9(16)4-10(3-8)18-7-11-12(14)5-17-6-13(11)15;1-8-5-9(2)19-12(18-8)20-7-10-6-17-4-3-11(10)13(14,15)16;1-3-9-5-15-6-11(14)10(9)7-19-13-16-8(2)4-12(18)17-13;1-5-11-7-17(4)16-12(11)8-18-13-14-9(2)6-10(3)15-13;1-3-11-10(5-4-6-14-11)8-18-13-15-9(2)7-12(17)16-13;1-7-2-3-15-11(16-7)17-6-8-9(12)4-14-5-10(8)13;/h3-5H,6H2,1-2H3,(H,17,18,19,20);2-6H,7,16H2,1H3;3-6H,7H2,1-2H3;4-6H,3,7H2,1-2H3,(H,16,17,18);6-7H,5,8H2,1-4H3;4-7H,3,8H2,1-2H3,(H,15,16,17);2-5H,6H2,1H3;1H
• InChIKey: ALEWVPLJERJJMW-UHFFFAOYSA-N
• XLogP: 23.79
• TPSA: 344.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2067.51
LogP ≤ 5	23.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methylaniline;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-methylpyrimidine;N-[2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-yl]acetamide;4,6-dimethyl-2-[[4-(trifluoromethyl)-3-pyridinyl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(4-ethyl-1-methylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-ethyl-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride?

The IUPAC name of 3-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methylaniline;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-methylpyrimidine;N-[2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-yl]acetamide;4,6-dimethyl-2-[[4-(trifluoromethyl)-3-pyridinyl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(4-ethyl-1-methylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-ethyl-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride (CID 161208232) is 3-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methylaniline;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-methylpyrimidine;N-[2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-yl]acetamide;4,6-dimethyl-2-[[4-(trifluoromethyl)-3-pyridinyl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(4-ethyl-1-methylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-ethyl-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride.

What is the SMILES notation for 3-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methylaniline;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-methylpyrimidine;N-[2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-yl]acetamide;4,6-dimethyl-2-[[4-(trifluoromethyl)-3-pyridinyl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(4-ethyl-1-methylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-ethyl-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride?

The canonical SMILES for 3-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methylaniline;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-methylpyrimidine;N-[2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-yl]acetamide;4,6-dimethyl-2-[[4-(trifluoromethyl)-3-pyridinyl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(4-ethyl-1-methylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-ethyl-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride is CC(=O)Nc1cc(C)nc(SCc2c(Cl)cncc2Cl)n1.CCc1cn(C)nc1CSc1nc(C)cc(C)n1.CCc1cncc(F)c1CSc1nc(C)cc(=O)[nH]1.CCc1ncccc1CSc1nc(C)cc(=O)[nH]1.Cc1cc(C)nc(SCc2cnccc2C(F)(F)F)n1.Cc1cc(N)cc(SCc2c(Cl)cncc2Cl)c1.Cc1ccnc(SCc2c(Cl)cncc2Cl)n1.Cl.

What is the InChIKey of 3-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methylaniline;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-methylpyrimidine;N-[2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-yl]acetamide;4,6-dimethyl-2-[[4-(trifluoromethyl)-3-pyridinyl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(4-ethyl-1-methylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-ethyl-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride?

The InChIKey is ALEWVPLJERJJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4OS.C13H12Cl2N2S.C13H12F3N3S.C13H14FN3OS.C13H18N4S.C13H15N3OS.C11H9Cl2N3S.ClH/c1-7-3-12(18-8(2)20)19-13(17-7)21-6-9-10(14)4-16-5-11(9)15;1-8-2-9(16)4-10(3-8)18-7-11-12(14)5-17-6-13(11)15;1-8-5-9(2)19-12(18-8)20-7-10-6-17-4-3-11(10)13(14,15)16;1-3-9-5-15-6-11(14)10(9)7-19-13-16-8(2)4-12(18)17-13;1-5-11-7-17(4)16-12(11)8-18-13-14-9(2)6-10(3)15-13;1-3-11-10(5-4-6-14-11)8-18-13-15-9(2)7-12(17)16-13;1-7-2-3-15-11(16-7)17-6-8-9(12)4-14-5-10(8)13;/h3-5H,6H2,1-2H3,(H,17,18,19,20);2-6H,7,16H2,1H3;3-6H,7H2,1-2H3;4-6H,3,7H2,1-2H3,(H,16,17,18);6-7H,5,8H2,1-4H3;4-7H,3,8H2,1-2H3,(H,15,16,17);2-5H,6H2,1H3;1H.

What are the key properties of 3-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methylaniline;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-methylpyrimidine;N-[2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-yl]acetamide;4,6-dimethyl-2-[[4-(trifluoromethyl)-3-pyridinyl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(4-ethyl-1-methylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-ethyl-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride?

3-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methylaniline;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-methylpyrimidine;N-[2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-yl]acetamide;4,6-dimethyl-2-[[4-(trifluoromethyl)-3-pyridinyl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(4-ethyl-1-methylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-ethyl-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 2067.51 g/mol, XLogP of 23.79, 25 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methylaniline;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-4-methylpyrimidine;N-[2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-yl]acetamide;4,6-dimethyl-2-[[4-(trifluoromethyl)-3-pyridinyl]methylsulfanyl]pyrimidine;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(4-ethyl-1-methylpyrazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2-ethyl-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 161208232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).