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

C121H145Cl5N30O5S9 — CID 161375751

About 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

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 (PubChem CID 161375751) has the molecular formula C121H145Cl5N30O5S9 and a molecular weight of 2565.56 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161375751
• Molecular Formula: C121H145Cl5N30O5S9
• Molecular Weight: 2565.56 g/mol
• Exact Mass: 2560.79
• IUPAC Name: 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
• SMILES: CCc1ccnc(CC)c1CSc1nc(C)cc(=O)[nH]1.CCc1ccnc(CC)c1CSc1nc(C)cc(=O)[nH]1.CCc1nccc(Cl)c1CSc1nc(C)cc(=O)[nH]1.CCc1nccc(Cl)c1CSc1nc(C)cc(C)n1.CCc1ncccc1CSc1nc(C)cc(=O)[nH]1.Cc1cc(=O)[nH]c(SCc2nn(C)cc2Cl)n1.Cc1cc(C)nc(SCc2c(Cl)ccnc2C(C)C)n1.Cc1cc(C)nc(SCc2cncn2C2CCCCC2)n1.Cc1cc(C)nc(SCn2nccc2Cl)n1
• InChI: InChI=1S/C16H22N4S.C15H18ClN3S.2C15H19N3OS.C14H16ClN3S.C13H14ClN3OS.C13H15N3OS.C10H11ClN4OS.C10H11ClN4S/c1-12-8-13(2)19-16(18-12)21-10-15-9-17-11-20(15)14-6-4-3-5-7-14;1-9(2)14-12(13(16)5-6-17-14)8-20-15-18-10(3)7-11(4)19-15;2*1-4-11-6-7-16-13(5-2)12(11)9-20-15-17-10(3)8-14(19)18-15;1-4-13-11(12(15)5-6-16-13)8-19-14-17-9(2)7-10(3)18-14;1-3-11-9(10(14)4-5-15-11)7-19-13-16-8(2)6-12(18)17-13;1-3-11-10(5-4-6-14-11)8-18-13-15-9(2)7-12(17)16-13;1-6-3-9(16)13-10(12-6)17-5-8-7(11)4-15(2)14-8;1-7-5-8(2)14-10(13-7)16-6-15-9(11)3-4-12-15/h8-9,11,14H,3-7,10H2,1-2H3;5-7,9H,8H2,1-4H3;2*6-8H,4-5,9H2,1-3H3,(H,17,18,19);5-7H,4,8H2,1-3H3;4-6H,3,7H2,1-2H3,(H,16,17,18);4-7H,3,8H2,1-2H3,(H,15,16,17);3-4H,5H2,1-2H3,(H,12,13,16);3-5H,6H2,1-2H3
• InChIKey: VRBCTZJRBFXCJU-UHFFFAOYSA-N
• XLogP: 28.18
• TPSA: 462.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 36
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2565.56
LogP ≤ 5	28.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCc1ccnc(CC)c1CSc1nc(C)cc(=O)[nH]1.CCc1ccnc(CC)c1CSc1nc(C)cc(=O)[nH]1.CCc1nccc(Cl)c1CSc1nc(C)cc(=O)[nH]1.CCc1nccc(Cl)c1CSc1nc(C)cc(C)n1.CCc1ncccc1CSc1nc(C)cc(=O)[nH]1.Cc1cc(=O)[nH]c(SCc2nn(C)cc2Cl)n1.Cc1cc(C)nc(SCc2c(Cl)ccnc2C(C)C)n1.Cc1cc(C)nc(SCc2cncn2C2CCCCC2)n1.Cc1cc(C)nc(SCn2nccc2Cl)n1.

What is the InChIKey of 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?

The InChIKey is VRBCTZJRBFXCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S.C15H18ClN3S.2C15H19N3OS.C14H16ClN3S.C13H14ClN3OS.C13H15N3OS.C10H11ClN4OS.C10H11ClN4S/c1-12-8-13(2)19-16(18-12)21-10-15-9-17-11-20(15)14-6-4-3-5-7-14;1-9(2)14-12(13(16)5-6-17-14)8-20-15-18-10(3)7-11(4)19-15;2*1-4-11-6-7-16-13(5-2)12(11)9-20-15-17-10(3)8-14(19)18-15;1-4-13-11(12(15)5-6-16-13)8-19-14-17-9(2)7-10(3)18-14;1-3-11-9(10(14)4-5-15-11)7-19-13-16-8(2)6-12(18)17-13;1-3-11-10(5-4-6-14-11)8-18-13-15-9(2)7-12(17)16-13;1-6-3-9(16)13-10(12-6)17-5-8-7(11)4-15(2)14-8;1-7-5-8(2)14-10(13-7)16-6-15-9(11)3-4-12-15/h8-9,11,14H,3-7,10H2,1-2H3;5-7,9H,8H2,1-4H3;2*6-8H,4-5,9H2,1-3H3,(H,17,18,19);5-7H,4,8H2,1-3H3;4-6H,3,7H2,1-2H3,(H,16,17,18);4-7H,3,8H2,1-2H3,(H,15,16,17);3-4H,5H2,1-2H3,(H,12,13,16);3-5H,6H2,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 2565.56 g/mol, XLogP of 28.18, 36 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161375751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).