2-[(5-chloro-1-methylpyrazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-oxo-1H-pyridin-4-yl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;bis(2-[dideuterio-(3,5-dichloro-2,6-dideuterio-4-pyridinyl)methyl]sulfanyl-4-methyl-1H-pyrimidin-6-one);2-[(3,5-dimethylimidazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one

C91H84Cl10F6N26O10S8 — CID 162077302

IUPAC2-[(5-chloro-1-methylpyrazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-oxo-1H-pyridin-4-yl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;bis(2-[dideuterio-(3,5-dichloro-2,6-dideuterio-4-pyridinyl)methyl]sulfanyl-4-methyl-1H-pyrimidin-6-one);2-[(3,5-dimethylimidazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
SMILESCC(F)(F)c1cc(=O)[nH]c(SCc2c(Cl)c[nH]c(=O)c2Cl)n1.CCc1cncc(F)c1CSc1nc(C)cc(=O)[nH]1.Cc1cc(=O)[nH]c(SCc2c(C)ncn2C)n1.Cc1cc(=O)[nH]c(SCc2c(Cl)c[n+]([O-])cc2Cl)n1.Cc1cc(=O)[nH]c(SCc2c(Cl)cncc2C(F)(F)F)n1.Cc1cc(=O)[nH]c(SCc2cnn(C)c2Cl)n1.[2H]c1nc([2H])c(Cl)c(C([2H])([2H])Sc2nc(C)cc(=O)[nH]2)c1Cl.[2H]c1nc([2H])c(Cl)c(C([2H])([2H])Sc2nc(C)cc(=O)[nH]2)c1Cl
InChIInChI=1S/C13H14FN3OS.C12H9Cl2F2N3O2S.C12H9ClF3N3OS.C11H9Cl2N3O2S.2C11H9Cl2N3OS.C11H14N4OS.C10H11ClN4OS/c1-3-9-5-15-6-11(14)10(9)7-19-13-16-8(2)4-12(18)17-13;1-12(15,16)7-2-8(20)19-11(18-7)22-4-5-6(13)3-17-10(21)9(5)14;1-6-2-10(20)19-11(18-6)21-5-7-8(12(14,15)16)3-17-4-9(7)13;1-6-2-10(17)15-11(14-6)19-5-7-8(12)3-16(18)4-9(7)13;2*1-6-2-10(17)16-11(15-6)18-5-7-8(12)3-14-4-9(7)13;1-7-4-10(16)14-11(13-7)17-5-9-8(2)12-6-15(9)3;1-6-3-8(16)14-10(13-6)17-5-7-4-12-15(2)9(7)11/h4-6H,3,7H2,1-2H3,(H,16,17,18);2-3H,4H2,1H3,(H,17,21)(H,18,19,20);2-4H,5H2,1H3,(H,18,19,20);2-4H,5H2,1H3,(H,14,15,17);2*2-4H,5H2,1H3,(H,15,16,17);4,6H,5H2,1-3H3,(H,13,14,16);3-4H,5H2,1-2H3,(H,13,14,16)/i;;;;2*3D,4D,5D2;;
InChIKeyZBWJAMUSDGXWFD-ACSUSSCISA-N
MW2434.95 g/mol
LogP20.70
Rot. Bonds26

About 2-[(5-chloro-1-methylpyrazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-oxo-1H-pyridin-4-yl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;bis(2-[dideuterio-(3,5-dichloro-2,6-dideuterio-4-pyridinyl)methyl]sulfanyl-4-methyl-1H-pyrimidin-6-one);2-[(3,5-dimethylimidazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one

2-[(5-chloro-1-methylpyrazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-oxo-1H-pyridin-4-yl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;bis(2-[dideuterio-(3,5-dichloro-2,6-dideuterio-4-pyridinyl)methyl]sulfanyl-4-methyl-1H-pyrimidin-6-one);2-[(3,5-dimethylimidazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 162077302) has the molecular formula C91H84Cl10F6N26O10S8 and a molecular weight of 2434.95 g/mol. Its IUPAC name is 2-[(5-chloro-1-methylpyrazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-oxo-1H-pyridin-4-yl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;bis(2-[dideuterio-(3,5-dichloro-2,6-dideuterio-4-pyridinyl)methyl]sulfanyl-4-methyl-1H-pyrimidin-6-one);2-[(3,5-dimethylimidazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(5-chloro-1-methylpyrazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-oxo-1H-pyridin-4-yl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;bis(2-[dideuterio-(3,5-dichloro-2,6-dideuterio-4-pyridinyl)methyl]sulfanyl-4-methyl-1H-pyrimidin-6-one);2-[(3,5-dimethylimidazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID162077302
Molecular FormulaC91H84Cl10F6N26O10S8
Molecular Weight2434.95 g/mol
Exact Mass2428.19
IUPAC Name2-[(5-chloro-1-methylpyrazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-oxo-1H-pyridin-4-yl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;bis(2-[dideuterio-(3,5-dichloro-2,6-dideuterio-4-pyridinyl)methyl]sulfanyl-4-methyl-1H-pyrimidin-6-one);2-[(3,5-dimethylimidazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
SMILESCC(F)(F)c1cc(=O)[nH]c(SCc2c(Cl)c[nH]c(=O)c2Cl)n1.CCc1cncc(F)c1CSc1nc(C)cc(=O)[nH]1.Cc1cc(=O)[nH]c(SCc2c(C)ncn2C)n1.Cc1cc(=O)[nH]c(SCc2c(Cl)c[n+]([O-])cc2Cl)n1.Cc1cc(=O)[nH]c(SCc2c(Cl)cncc2C(F)(F)F)n1.Cc1cc(=O)[nH]c(SCc2cnn(C)c2Cl)n1.[2H]c1nc([2H])c(Cl)c(C([2H])([2H])Sc2nc(C)cc(=O)[nH]2)c1Cl.[2H]c1nc([2H])c(Cl)c(C([2H])([2H])Sc2nc(C)cc(=O)[nH]2)c1Cl
InChIInChI=1S/C13H14FN3OS.C12H9Cl2F2N3O2S.C12H9ClF3N3OS.C11H9Cl2N3O2S.2C11H9Cl2N3OS.C11H14N4OS.C10H11ClN4OS/c1-3-9-5-15-6-11(14)10(9)7-19-13-16-8(2)4-12(18)17-13;1-12(15,16)7-2-8(20)19-11(18-7)22-4-5-6(13)3-17-10(21)9(5)14;1-6-2-10(20)19-11(18-6)21-5-7-8(12(14,15)16)3-17-4-9(7)13;1-6-2-10(17)15-11(14-6)19-5-7-8(12)3-16(18)4-9(7)13;2*1-6-2-10(17)16-11(15-6)18-5-7-8(12)3-14-4-9(7)13;1-7-4-10(16)14-11(13-7)17-5-9-8(2)12-6-15(9)3;1-6-3-8(16)14-10(13-6)17-5-7-4-12-15(2)9(7)11/h4-6H,3,7H2,1-2H3,(H,16,17,18);2-3H,4H2,1H3,(H,17,21)(H,18,19,20);2-4H,5H2,1H3,(H,18,19,20);2-4H,5H2,1H3,(H,14,15,17);2*2-4H,5H2,1H3,(H,15,16,17);4,6H,5H2,1-3H3,(H,13,14,16);3-4H,5H2,1-2H3,(H,13,14,16)/i;;;;2*3D,4D,5D2;;
InChIKeyZBWJAMUSDGXWFD-ACSUSSCISA-N
XLogP20.70
TPSA513.00 Ų
H-Bond Donors9
H-Bond Acceptors34
Rotatable Bonds26
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002434.95
LogP ≤ 520.70
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[(5-chloro-1-methylpyrazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-oxo-1H-pyridin-4-yl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;bis(2-[dideuterio-(3,5-dichloro-2,6-dideuterio-4-pyridinyl)methyl]sulfanyl-4-methyl-1H-pyrimidin-6-one);2-[(3,5-dimethylimidazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

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
2-[(3-chloro-5-ethyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3-chloro-5-ethyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(2,4-dichloro-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine;5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazole;2-[(3-ethyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 162159236
2-[(4-chloro-2-ethyl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(4-chloro-2-ethyl-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(4-chloro-1-methylpyrazol-3-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(4-chloro-2-propan-2-yl-3-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(5-chloropyrazol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(3-cyclohexylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;bis(2-[(2,4-diethyl-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one);2-[(2-ethyl-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 161375751

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methylpyrazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-oxo-1H-pyridin-4-yl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;bis(2-[dideuterio-(3,5-dichloro-2,6-dideuterio-4-pyridinyl)methyl]sulfanyl-4-methyl-1H-pyrimidin-6-one);2-[(3,5-dimethylimidazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(5-chloro-1-methylpyrazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-oxo-1H-pyridin-4-yl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;bis(2-[dideuterio-(3,5-dichloro-2,6-dideuterio-4-pyridinyl)methyl]sulfanyl-4-methyl-1H-pyrimidin-6-one);2-[(3,5-dimethylimidazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one (CID 162077302) is 2-[(5-chloro-1-methylpyrazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-oxo-1H-pyridin-4-yl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;bis(2-[dideuterio-(3,5-dichloro-2,6-dideuterio-4-pyridinyl)methyl]sulfanyl-4-methyl-1H-pyrimidin-6-one);2-[(3,5-dimethylimidazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(5-chloro-1-methylpyrazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-oxo-1H-pyridin-4-yl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;bis(2-[dideuterio-(3,5-dichloro-2,6-dideuterio-4-pyridinyl)methyl]sulfanyl-4-methyl-1H-pyrimidin-6-one);2-[(3,5-dimethylimidazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(5-chloro-1-methylpyrazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-oxo-1H-pyridin-4-yl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;bis(2-[dideuterio-(3,5-dichloro-2,6-dideuterio-4-pyridinyl)methyl]sulfanyl-4-methyl-1H-pyrimidin-6-one);2-[(3,5-dimethylimidazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one is CC(F)(F)c1cc(=O)[nH]c(SCc2c(Cl)c[nH]c(=O)c2Cl)n1.CCc1cncc(F)c1CSc1nc(C)cc(=O)[nH]1.Cc1cc(=O)[nH]c(SCc2c(C)ncn2C)n1.Cc1cc(=O)[nH]c(SCc2c(Cl)c[n+]([O-])cc2Cl)n1.Cc1cc(=O)[nH]c(SCc2c(Cl)cncc2C(F)(F)F)n1.Cc1cc(=O)[nH]c(SCc2cnn(C)c2Cl)n1.[2H]c1nc([2H])c(Cl)c(C([2H])([2H])Sc2nc(C)cc(=O)[nH]2)c1Cl.[2H]c1nc([2H])c(Cl)c(C([2H])([2H])Sc2nc(C)cc(=O)[nH]2)c1Cl.
What is the InChIKey of 2-[(5-chloro-1-methylpyrazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-oxo-1H-pyridin-4-yl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;bis(2-[dideuterio-(3,5-dichloro-2,6-dideuterio-4-pyridinyl)methyl]sulfanyl-4-methyl-1H-pyrimidin-6-one);2-[(3,5-dimethylimidazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ZBWJAMUSDGXWFD-ACSUSSCISA-N. The full InChI is InChI=1S/C13H14FN3OS.C12H9Cl2F2N3O2S.C12H9ClF3N3OS.C11H9Cl2N3O2S.2C11H9Cl2N3OS.C11H14N4OS.C10H11ClN4OS/c1-3-9-5-15-6-11(14)10(9)7-19-13-16-8(2)4-12(18)17-13;1-12(15,16)7-2-8(20)19-11(18-7)22-4-5-6(13)3-17-10(21)9(5)14;1-6-2-10(20)19-11(18-6)21-5-7-8(12(14,15)16)3-17-4-9(7)13;1-6-2-10(17)15-11(14-6)19-5-7-8(12)3-16(18)4-9(7)13;2*1-6-2-10(17)16-11(15-6)18-5-7-8(12)3-14-4-9(7)13;1-7-4-10(16)14-11(13-7)17-5-9-8(2)12-6-15(9)3;1-6-3-8(16)14-10(13-6)17-5-7-4-12-15(2)9(7)11/h4-6H,3,7H2,1-2H3,(H,16,17,18);2-3H,4H2,1H3,(H,17,21)(H,18,19,20);2-4H,5H2,1H3,(H,18,19,20);2-4H,5H2,1H3,(H,14,15,17);2*2-4H,5H2,1H3,(H,15,16,17);4,6H,5H2,1-3H3,(H,13,14,16);3-4H,5H2,1-2H3,(H,13,14,16)/i;;;;2*3D,4D,5D2;;.
What are the key properties of 2-[(5-chloro-1-methylpyrazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-oxo-1H-pyridin-4-yl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;bis(2-[dideuterio-(3,5-dichloro-2,6-dideuterio-4-pyridinyl)methyl]sulfanyl-4-methyl-1H-pyrimidin-6-one);2-[(3,5-dimethylimidazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
2-[(5-chloro-1-methylpyrazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-oxo-1H-pyridin-4-yl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;bis(2-[dideuterio-(3,5-dichloro-2,6-dideuterio-4-pyridinyl)methyl]sulfanyl-4-methyl-1H-pyrimidin-6-one);2-[(3,5-dimethylimidazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 2434.95 g/mol, XLogP of 20.70, 26 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methylpyrazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[[3-chloro-5-(trifluoromethyl)-4-pyridinyl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-oxo-1H-pyridin-4-yl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;bis(2-[dideuterio-(3,5-dichloro-2,6-dideuterio-4-pyridinyl)methyl]sulfanyl-4-methyl-1H-pyrimidin-6-one);2-[(3,5-dimethylimidazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3-ethyl-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 162077302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).