1-[(2R,3aS,6R,6aR)-3a-hydroxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;1-[(2R,3aS,6R,6aR)-3a-[2-isocyanoethoxy(methyl)phosphanyl]oxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;bis(1-[(2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one);1-[(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol;[(2R,3aS,6R,6aR)-6-methyl-2-(5-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl] 4-(methylamino)-4-oxobutanoate;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one

C121H191N16O29PS7Si4 — CID 159477464

About 1-[(2R,3aS,6R,6aR)-3a-hydroxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;1-[(2R,3aS,6R,6aR)-3a-[2-isocyanoethoxy(methyl)phosphanyl]oxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;bis(1-[(2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one);1-[(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol;[(2R,3aS,6R,6aR)-6-methyl-2-(5-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl] 4-(methylamino)-4-oxobutanoate;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one

1-[(2R,3aS,6R,6aR)-3a-hydroxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;1-[(2R,3aS,6R,6aR)-3a-[2-isocyanoethoxy(methyl)phosphanyl]oxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;bis(1-[(2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one);1-[(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol;[(2R,3aS,6R,6aR)-6-methyl-2-(5-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl] 4-(methylamino)-4-oxobutanoate;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 159477464) has the molecular formula C121H191N16O29PS7Si4 and a molecular weight of 2701.73 g/mol. Its IUPAC name is 1-[(2R,3aS,6R,6aR)-3a-hydroxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;1-[(2R,3aS,6R,6aR)-3a-[2-isocyanoethoxy(methyl)phosphanyl]oxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;bis(1-[(2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one);1-[(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol;[(2R,3aS,6R,6aR)-6-methyl-2-(5-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl] 4-(methylamino)-4-oxobutanoate;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

• Compound Name: 1-[(2R,3aS,6R,6aR)-3a-hydroxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;1-[(2R,3aS,6R,6aR)-3a-[2-isocyanoethoxy(methyl)phosphanyl]oxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;bis(1-[(2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one);1-[(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol;[(2R,3aS,6R,6aR)-6-methyl-2-(5-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl] 4-(methylamino)-4-oxobutanoate;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
• PubChem CID: 159477464
• Molecular Formula: C121H191N16O29PS7Si4
• Molecular Weight: 2701.73 g/mol
• Exact Mass: 2699.08
• IUPAC Name: 1-[(2R,3aS,6R,6aR)-3a-hydroxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;1-[(2R,3aS,6R,6aR)-3a-[2-isocyanoethoxy(methyl)phosphanyl]oxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;bis(1-[(2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one);1-[(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol;[(2R,3aS,6R,6aR)-6-methyl-2-(5-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl] 4-(methylamino)-4-oxobutanoate;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
• SMILES: CNC(=O)CCC(=O)O[C@]12CC[C@@H](C)[C@H]1O[C@@H](n1cc(C)c(=O)[nH]c1=S)C2.COC1C[C@@]2(O)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1.Cc1c[nH]c(=S)[nH]c1=O.Cc1cn(C2C[C@@]3(O)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O2)c(=S)[nH]c1=O.Cc1cn([C@H]2C[C@@]3(O)CC[C@@H](C)[C@H]3O2)c(=S)[nH]c1=O.Cc1cn([C@H]2C[C@@]3(O)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O2)c(=S)[nH]c1=O.Cc1cn([C@H]2C[C@@]3(O)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O2)c(=S)[nH]c1=O.[C-]#[N+]CCOP(C)O[C@]12CC[C@@H](C)[C@H]1O[C@@H](n1cc(C)c(=O)[nH]c1=S)C2
• InChI: InChI=1S/C18H25N3O5S.3C18H30N2O4SSi.C17H24N3O4PS.C14H28O4Si.C13H18N2O3S.C5H6N2OS/c1-10-6-7-18(26-14(23)5-4-12(22)19-3)8-13(25-15(10)18)21-9-11(2)16(24)20-17(21)27;3*1-11-10-20(16(25)19-15(11)21)13-9-18(22)8-7-12(14(18)23-13)24-26(5,6)17(2,3)4;1-11-5-6-17(24-25(4)22-8-7-18-3)9-13(23-14(11)17)20-10-12(2)15(21)19-16(20)26;1-13(2,3)19(5,6)18-10-7-8-14(15)9-11(16-4)17-12(10)14;1-7-3-4-13(17)5-9(18-10(7)13)15-6-8(2)11(16)14-12(15)19;1-3-2-6-5(9)7-4(3)8/h9-10,13,15H,4-8H2,1-3H3,(H,19,22)(H,20,24,27);3*10,12-14,22H,7-9H2,1-6H3,(H,19,21,25);10-11,13-14H,5-9H2,1-2,4H3,(H,19,21,26);10-12,15H,7-9H2,1-6H3;6-7,9-10,17H,3-5H2,1-2H3,(H,14,16,19);2H,1H3,(H2,6,7,8,9)/t10-,13-,15-,18+;12-,13?,14-,18+;2*12-,13-,14-,18+;11-,13-,14-,17+,25?;10-,11?,12-,14+;7-,9-,10-,13+;/m1111111./s1
• InChIKey: LWOJFUBUJQDJPK-HNECEDEXSA-N
• XLogP: 20.62
• TPSA: 565.52 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 42
• Rotatable Bonds: 24
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2701.73
LogP ≤ 5	20.62
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3aS,6R,6aR)-3a-hydroxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;1-[(2R,3aS,6R,6aR)-3a-[2-isocyanoethoxy(methyl)phosphanyl]oxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;bis(1-[(2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one);1-[(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol;[(2R,3aS,6R,6aR)-6-methyl-2-(5-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl] 4-(methylamino)-4-oxobutanoate;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one?

The IUPAC name of 1-[(2R,3aS,6R,6aR)-3a-hydroxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;1-[(2R,3aS,6R,6aR)-3a-[2-isocyanoethoxy(methyl)phosphanyl]oxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;bis(1-[(2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one);1-[(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol;[(2R,3aS,6R,6aR)-6-methyl-2-(5-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl] 4-(methylamino)-4-oxobutanoate;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one (CID 159477464) is 1-[(2R,3aS,6R,6aR)-3a-hydroxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;1-[(2R,3aS,6R,6aR)-3a-[2-isocyanoethoxy(methyl)phosphanyl]oxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;bis(1-[(2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one);1-[(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol;[(2R,3aS,6R,6aR)-6-methyl-2-(5-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl] 4-(methylamino)-4-oxobutanoate;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one.

What is the SMILES notation for 1-[(2R,3aS,6R,6aR)-3a-hydroxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;1-[(2R,3aS,6R,6aR)-3a-[2-isocyanoethoxy(methyl)phosphanyl]oxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;bis(1-[(2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one);1-[(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol;[(2R,3aS,6R,6aR)-6-methyl-2-(5-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl] 4-(methylamino)-4-oxobutanoate;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one?

The canonical SMILES for 1-[(2R,3aS,6R,6aR)-3a-hydroxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;1-[(2R,3aS,6R,6aR)-3a-[2-isocyanoethoxy(methyl)phosphanyl]oxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;bis(1-[(2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one);1-[(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol;[(2R,3aS,6R,6aR)-6-methyl-2-(5-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl] 4-(methylamino)-4-oxobutanoate;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one is CNC(=O)CCC(=O)O[C@]12CC[C@@H](C)[C@H]1O[C@@H](n1cc(C)c(=O)[nH]c1=S)C2.COC1C[C@@]2(O)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1.Cc1c[nH]c(=S)[nH]c1=O.Cc1cn(C2C[C@@]3(O)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O2)c(=S)[nH]c1=O.Cc1cn([C@H]2C[C@@]3(O)CC[C@@H](C)[C@H]3O2)c(=S)[nH]c1=O.Cc1cn([C@H]2C[C@@]3(O)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O2)c(=S)[nH]c1=O.Cc1cn([C@H]2C[C@@]3(O)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O2)c(=S)[nH]c1=O.[C-]#[N+]CCOP(C)O[C@]12CC[C@@H](C)[C@H]1O[C@@H](n1cc(C)c(=O)[nH]c1=S)C2.

What is the InChIKey of 1-[(2R,3aS,6R,6aR)-3a-hydroxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;1-[(2R,3aS,6R,6aR)-3a-[2-isocyanoethoxy(methyl)phosphanyl]oxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;bis(1-[(2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one);1-[(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol;[(2R,3aS,6R,6aR)-6-methyl-2-(5-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl] 4-(methylamino)-4-oxobutanoate;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one?

The InChIKey is LWOJFUBUJQDJPK-HNECEDEXSA-N. The full InChI is InChI=1S/C18H25N3O5S.3C18H30N2O4SSi.C17H24N3O4PS.C14H28O4Si.C13H18N2O3S.C5H6N2OS/c1-10-6-7-18(26-14(23)5-4-12(22)19-3)8-13(25-15(10)18)21-9-11(2)16(24)20-17(21)27;3*1-11-10-20(16(25)19-15(11)21)13-9-18(22)8-7-12(14(18)23-13)24-26(5,6)17(2,3)4;1-11-5-6-17(24-25(4)22-8-7-18-3)9-13(23-14(11)17)20-10-12(2)15(21)19-16(20)26;1-13(2,3)19(5,6)18-10-7-8-14(15)9-11(16-4)17-12(10)14;1-7-3-4-13(17)5-9(18-10(7)13)15-6-8(2)11(16)14-12(15)19;1-3-2-6-5(9)7-4(3)8/h9-10,13,15H,4-8H2,1-3H3,(H,19,22)(H,20,24,27);3*10,12-14,22H,7-9H2,1-6H3,(H,19,21,25);10-11,13-14H,5-9H2,1-2,4H3,(H,19,21,26);10-12,15H,7-9H2,1-6H3;6-7,9-10,17H,3-5H2,1-2H3,(H,14,16,19);2H,1H3,(H2,6,7,8,9)/t10-,13-,15-,18+;12-,13?,14-,18+;2*12-,13-,14-,18+;11-,13-,14-,17+,25?;10-,11?,12-,14+;7-,9-,10-,13+;/m1111111./s1.

What are the key properties of 1-[(2R,3aS,6R,6aR)-3a-hydroxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;1-[(2R,3aS,6R,6aR)-3a-[2-isocyanoethoxy(methyl)phosphanyl]oxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;bis(1-[(2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one);1-[(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol;[(2R,3aS,6R,6aR)-6-methyl-2-(5-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl] 4-(methylamino)-4-oxobutanoate;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one?

1-[(2R,3aS,6R,6aR)-3a-hydroxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;1-[(2R,3aS,6R,6aR)-3a-[2-isocyanoethoxy(methyl)phosphanyl]oxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;bis(1-[(2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one);1-[(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol;[(2R,3aS,6R,6aR)-6-methyl-2-(5-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl] 4-(methylamino)-4-oxobutanoate;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 2701.73 g/mol, XLogP of 20.62, 24 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3aS,6R,6aR)-3a-hydroxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;1-[(2R,3aS,6R,6aR)-3a-[2-isocyanoethoxy(methyl)phosphanyl]oxy-6-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;bis(1-[(2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one);1-[(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one;(3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol;[(2R,3aS,6R,6aR)-6-methyl-2-(5-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl] 4-(methylamino)-4-oxobutanoate;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 159477464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).