2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-amine;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;2-[(3-ethyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride

C100H106Cl7F4N27O4S8 — CID 157215181

About 2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-amine;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;2-[(3-ethyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride

2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-amine;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;2-[(3-ethyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 157215181) has the molecular formula C100H106Cl7F4N27O4S8 and a molecular weight of 2330.83 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-amine;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;2-[(3-ethyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

• Compound Name: 2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-amine;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;2-[(3-ethyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride
• PubChem CID: 157215181
• Molecular Formula: C100H106Cl7F4N27O4S8
• Molecular Weight: 2330.83 g/mol
• Exact Mass: 2325.44
• IUPAC Name: 2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-amine;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;2-[(3-ethyl-4-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.CCc1cnccc1CSc1nc(C)cc(=O)[nH]1.CCc1ncccc1CSc1nc(C)cc(=O)[nH]1.Cc1cc(C)nc(SCc2cnccc2C(F)(F)F)n1.Cc1cc(N)nc(SCc2c(Cl)cncc2Cl)n1.Cc1ccnc(SCc2c(Cl)cncc2Cl)n1.Cl
• InChI: InChI=1S/C13H12Cl2N4OS.C13H12F3N3S.C13H14FN3OS.C13H18N4S.2C13H15N3OS.C11H10Cl2N4S.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;1-8-5-9(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;1-3-10-7-14-5-4-11(10)8-18-13-15-9(2)6-12(17)16-13;1-3-11-10(5-4-6-14-11)8-18-13-15-9(2)7-12(17)16-13;1-6-2-10(14)17-11(16-6)18-5-7-8(12)3-15-4-9(7)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);3-6H,7H2,1-2H3;4-6H,3,7H2,1-2H3,(H,16,17,18);6-7H,5,8H2,1-4H3;2*4-7H,3,8H2,1-2H3,(H,15,16,17);2-4H,5H2,1H3,(H2,14,16,17);2-5H,6H2,1H3;1H
• InChIKey: WUBFQYSKVZAKFG-UHFFFAOYSA-N
• XLogP: 24.90
• TPSA: 429.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 29
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2330.83
LogP ≤ 5	24.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-amine;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;2-[(3-ethyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride?

The IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-amine;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;2-[(3-ethyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride (CID 157215181) is 2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-amine;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;2-[(3-ethyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride.

What is the SMILES notation for 2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-amine;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;2-[(3-ethyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride?

The canonical SMILES for 2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-amine;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;2-[(3-ethyl-4-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.CCc1cnccc1CSc1nc(C)cc(=O)[nH]1.CCc1ncccc1CSc1nc(C)cc(=O)[nH]1.Cc1cc(C)nc(SCc2cnccc2C(F)(F)F)n1.Cc1cc(N)nc(SCc2c(Cl)cncc2Cl)n1.Cc1ccnc(SCc2c(Cl)cncc2Cl)n1.Cl.

What is the InChIKey of 2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-amine;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;2-[(3-ethyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride?

The InChIKey is WUBFQYSKVZAKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4OS.C13H12F3N3S.C13H14FN3OS.C13H18N4S.2C13H15N3OS.C11H10Cl2N4S.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;1-8-5-9(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;1-3-10-7-14-5-4-11(10)8-18-13-15-9(2)6-12(17)16-13;1-3-11-10(5-4-6-14-11)8-18-13-15-9(2)7-12(17)16-13;1-6-2-10(14)17-11(16-6)18-5-7-8(12)3-15-4-9(7)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);3-6H,7H2,1-2H3;4-6H,3,7H2,1-2H3,(H,16,17,18);6-7H,5,8H2,1-4H3;2*4-7H,3,8H2,1-2H3,(H,15,16,17);2-4H,5H2,1H3,(H2,14,16,17);2-5H,6H2,1H3;1H.

What are the key properties of 2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-amine;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;2-[(3-ethyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride?

2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-amine;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;2-[(3-ethyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 2330.83 g/mol, XLogP of 24.90, 29 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-6-methylpyrimidin-4-amine;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;2-[(3-ethyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 157215181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).