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-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;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

C86H102Cl2F4N18O3S7 — CID 160955370

About 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-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;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

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-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;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 (PubChem CID 160955370) has the molecular formula C86H102Cl2F4N18O3S7 and a molecular weight of 1807.25 g/mol. Its IUPAC name is 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-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;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.

Molecular Properties

• Compound Name: 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-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;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
• PubChem CID: 160955370
• Molecular Formula: C86H102Cl2F4N18O3S7
• Molecular Weight: 1807.25 g/mol
• Exact Mass: 1804.57
• IUPAC Name: 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-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;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
• SMILES: CCc1cncc(CC)c1CSc1nc(C(C)(F)F)cc(=O)[nH]1.CCc1cncc(CC)c1CSc1nc(C)cc(C)n1.CCc1cncc(Cl)c1CSc1nc(C(C)(F)F)cc(=O)[nH]1.CCc1cncc(Cl)c1CSc1nc(C)cc(C)n1.CCc1cnccc1CSc1nc(C)cc(=O)[nH]1.Cc1cc(C)nc(SCc2scnc2C(C)C)n1
• InChI: InChI=1S/C16H19F2N3OS.C16H21N3S.C14H14ClF2N3OS.C14H16ClN3S.C13H15N3OS.C13H17N3S2/c1-4-10-7-19-8-11(5-2)12(10)9-23-15-20-13(16(3,17)18)6-14(22)21-15;1-5-13-8-17-9-14(6-2)15(13)10-20-16-18-11(3)7-12(4)19-16;1-3-8-5-18-6-10(15)9(8)7-22-13-19-11(14(2,16)17)4-12(21)20-13;1-4-11-6-16-7-13(15)12(11)8-19-14-17-9(2)5-10(3)18-14;1-3-10-7-14-5-4-11(10)8-18-13-15-9(2)6-12(17)16-13;1-8(2)12-11(18-7-14-12)6-17-13-15-9(3)5-10(4)16-13/h6-8H,4-5,9H2,1-3H3,(H,20,21,22);7-9H,5-6,10H2,1-4H3;4-6H,3,7H2,1-2H3,(H,19,20,21);5-7H,4,8H2,1-3H3;4-7H,3,8H2,1-2H3,(H,15,16,17);5,7-8H,6H2,1-4H3
• InChIKey: SWHUXRBBSKWJGO-UHFFFAOYSA-N
• XLogP: 21.67
• TPSA: 291.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1807.25
LogP ≤ 5	21.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 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-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;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?

The IUPAC name of 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-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;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 160955370) is 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-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;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.

What is the SMILES notation for 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-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;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?

The canonical SMILES for 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-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;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 is CCc1cncc(CC)c1CSc1nc(C(C)(F)F)cc(=O)[nH]1.CCc1cncc(CC)c1CSc1nc(C)cc(C)n1.CCc1cncc(Cl)c1CSc1nc(C(C)(F)F)cc(=O)[nH]1.CCc1cncc(Cl)c1CSc1nc(C)cc(C)n1.CCc1cnccc1CSc1nc(C)cc(=O)[nH]1.Cc1cc(C)nc(SCc2scnc2C(C)C)n1.

What is the InChIKey of 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-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;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?

The InChIKey is SWHUXRBBSKWJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3OS.C16H21N3S.C14H14ClF2N3OS.C14H16ClN3S.C13H15N3OS.C13H17N3S2/c1-4-10-7-19-8-11(5-2)12(10)9-23-15-20-13(16(3,17)18)6-14(22)21-15;1-5-13-8-17-9-14(6-2)15(13)10-20-16-18-11(3)7-12(4)19-16;1-3-8-5-18-6-10(15)9(8)7-22-13-19-11(14(2,16)17)4-12(21)20-13;1-4-11-6-16-7-13(15)12(11)8-19-14-17-9(2)5-10(3)18-14;1-3-10-7-14-5-4-11(10)8-18-13-15-9(2)6-12(17)16-13;1-8(2)12-11(18-7-14-12)6-17-13-15-9(3)5-10(4)16-13/h6-8H,4-5,9H2,1-3H3,(H,20,21,22);7-9H,5-6,10H2,1-4H3;4-6H,3,7H2,1-2H3,(H,19,20,21);5-7H,4,8H2,1-3H3;4-7H,3,8H2,1-2H3,(H,15,16,17);5,7-8H,6H2,1-4H3.

What are the key properties of 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-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;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?

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-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;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 has a molecular weight of 1807.25 g/mol, XLogP of 21.67, 28 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 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-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one;2-[(3,5-diethyl-4-pyridinyl)methylsulfanyl]-4,6-dimethylpyrimidine;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 is sourced from PubChem (CID 160955370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).