2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2,4-dimethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(5-ethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-(pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one;4-methyl-2-[[3-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one;dihydrochloride

C93H105Cl4F5N24O4S7 — CID 157457243

About 2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2,4-dimethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(5-ethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-(pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one;4-methyl-2-[[3-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one;dihydrochloride

2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2,4-dimethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(5-ethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-(pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one;4-methyl-2-[[3-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one;dihydrochloride (PubChem CID 157457243) has the molecular formula C93H105Cl4F5N24O4S7 and a molecular weight of 2084.30 g/mol. Its IUPAC name is 2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2,4-dimethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(5-ethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-(pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one;4-methyl-2-[[3-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one;dihydrochloride.

Molecular Properties

• Compound Name: 2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2,4-dimethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(5-ethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-(pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one;4-methyl-2-[[3-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one;dihydrochloride
• PubChem CID: 157457243
• Molecular Formula: C93H105Cl4F5N24O4S7
• Molecular Weight: 2084.30 g/mol
• Exact Mass: 2080.55
• IUPAC Name: 2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2,4-dimethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(5-ethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-(pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one;4-methyl-2-[[3-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one;dihydrochloride
• SMILES: CCN1CCN(c2ccc(CSc3nc(C)cc(=O)[nH]3)cn2)CC1.CCc1cncc(CSc2nc(C)cc(C)n2)c1.Cc1cc(=O)[nH]c(SCc2ccncc2C(F)(F)F)n1.Cc1cc(=O)[nH]c(SCc2ncccn2)n1.Cc1cc(C)nc(SCc2c(C)ccnc2C)n1.Cc1cc(C)nc(SCc2c(C)cncc2Cl)n1.Cc1cncc(Cl)c1CSc1nc(C(C)(F)F)cc(=O)[nH]1.Cl.Cl
• InChI: InChI=1S/C17H23N5OS.2C14H17N3S.C13H12ClF2N3OS.C13H14ClN3S.C12H10F3N3OS.C10H10N4OS.2ClH/c1-3-21-6-8-22(9-7-21)15-5-4-14(11-18-15)12-24-17-19-13(2)10-16(23)20-17;1-9-5-6-15-12(4)13(9)8-18-14-16-10(2)7-11(3)17-14;1-4-12-6-13(8-15-7-12)9-18-14-16-10(2)5-11(3)17-14;1-7-4-17-5-9(14)8(7)6-21-12-18-10(13(2,15)16)3-11(20)19-12;1-8-5-15-6-12(14)11(8)7-18-13-16-9(2)4-10(3)17-13;1-7-4-10(19)18-11(17-7)20-6-8-2-3-16-5-9(8)12(13,14)15;1-7-5-9(15)14-10(13-7)16-6-8-11-3-2-4-12-8;;/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,19,20,23);5-7H,8H2,1-4H3;5-8H,4,9H2,1-3H3;3-5H,6H2,1-2H3,(H,18,19,20);4-6H,7H2,1-3H3;2-5H,6H2,1H3,(H,17,18,19);2-5H,6H2,1H3,(H,13,14,15);2*1H
• InChIKey: OBTRWMABAYCPSU-UHFFFAOYSA-N
• XLogP: 20.71
• TPSA: 369.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2084.30
LogP ≤ 5	20.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2,4-dimethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(5-ethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-(pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one;4-methyl-2-[[3-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one;dihydrochloride?

The IUPAC name of 2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2,4-dimethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(5-ethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-(pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one;4-methyl-2-[[3-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one;dihydrochloride (CID 157457243) is 2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2,4-dimethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(5-ethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-(pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one;4-methyl-2-[[3-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one;dihydrochloride.

What is the SMILES notation for 2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2,4-dimethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(5-ethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-(pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one;4-methyl-2-[[3-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one;dihydrochloride?

The canonical SMILES for 2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2,4-dimethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(5-ethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-(pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one;4-methyl-2-[[3-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one;dihydrochloride is CCN1CCN(c2ccc(CSc3nc(C)cc(=O)[nH]3)cn2)CC1.CCc1cncc(CSc2nc(C)cc(C)n2)c1.Cc1cc(=O)[nH]c(SCc2ccncc2C(F)(F)F)n1.Cc1cc(=O)[nH]c(SCc2ncccn2)n1.Cc1cc(C)nc(SCc2c(C)ccnc2C)n1.Cc1cc(C)nc(SCc2c(C)cncc2Cl)n1.Cc1cncc(Cl)c1CSc1nc(C(C)(F)F)cc(=O)[nH]1.Cl.Cl.

What is the InChIKey of 2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2,4-dimethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(5-ethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-(pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one;4-methyl-2-[[3-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one;dihydrochloride?

The InChIKey is OBTRWMABAYCPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS.2C14H17N3S.C13H12ClF2N3OS.C13H14ClN3S.C12H10F3N3OS.C10H10N4OS.2ClH/c1-3-21-6-8-22(9-7-21)15-5-4-14(11-18-15)12-24-17-19-13(2)10-16(23)20-17;1-9-5-6-15-12(4)13(9)8-18-14-16-10(2)7-11(3)17-14;1-4-12-6-13(8-15-7-12)9-18-14-16-10(2)5-11(3)17-14;1-7-4-17-5-9(14)8(7)6-21-12-18-10(13(2,15)16)3-11(20)19-12;1-8-5-15-6-12(14)11(8)7-18-13-16-9(2)4-10(3)17-13;1-7-4-10(19)18-11(17-7)20-6-8-2-3-16-5-9(8)12(13,14)15;1-7-5-9(15)14-10(13-7)16-6-8-11-3-2-4-12-8;;/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,19,20,23);5-7H,8H2,1-4H3;5-8H,4,9H2,1-3H3;3-5H,6H2,1-2H3,(H,18,19,20);4-6H,7H2,1-3H3;2-5H,6H2,1H3,(H,17,18,19);2-5H,6H2,1H3,(H,13,14,15);2*1H.

What are the key properties of 2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2,4-dimethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(5-ethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-(pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one;4-methyl-2-[[3-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one;dihydrochloride?

2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2,4-dimethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(5-ethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-(pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one;4-methyl-2-[[3-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one;dihydrochloride has a molecular weight of 2084.30 g/mol, XLogP of 20.71, 25 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3-chloro-5-methyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2,4-dimethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(5-ethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-(pyrimidin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one;4-methyl-2-[[3-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one;dihydrochloride is sourced from PubChem (CID 157457243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).