4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;tert-butyl 5-(bromomethyl)-3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2,6-dioxopyrimidine-1-carboxylate;1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidine-2,4-dione

C96H143BrI3N13O26Si3 — CID 158135732

About 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;tert-butyl 5-(bromomethyl)-3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2,6-dioxopyrimidine-1-carboxylate;1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidine-2,4-dione

4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;tert-butyl 5-(bromomethyl)-3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2,6-dioxopyrimidine-1-carboxylate;1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidine-2,4-dione (PubChem CID 158135732) has the molecular formula C96H143BrI3N13O26Si3 and a molecular weight of 2440.14 g/mol. Its IUPAC name is 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;tert-butyl 5-(bromomethyl)-3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2,6-dioxopyrimidine-1-carboxylate;1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;tert-butyl 5-(bromomethyl)-3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2,6-dioxopyrimidine-1-carboxylate;1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidine-2,4-dione
• PubChem CID: 158135732
• Molecular Formula: C96H143BrI3N13O26Si3
• Molecular Weight: 2440.14 g/mol
• Exact Mass: 2437.59
• IUPAC Name: 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;tert-butyl 5-(bromomethyl)-3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2,6-dioxopyrimidine-1-carboxylate;1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidine-2,4-dione
• SMILES: CC(C)[C@@H](OCc1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)nc1N)c1ccc(I)cc1[N+](=O)[O-].CC[C@H]1O[C@@H](n2cc(CBr)c(=O)n(C(=O)OC(C)(C)C)c2=O)CC1O[Si](C)(C)C(C)(C)C.CC[C@H]1O[C@@H](n2cc(CO[C@@H](c3ccc(I)cc3[N+](=O)[O-])C(C)C)c(=O)[nH]c2=O)CC1O[Si](C)(C)C(C)(C)C.CC[C@H]1O[C@@H](n2cc(CO[C@@H](c3ccc(I)cc3[N+](=O)[O-])C(C)C)c(N)nc2=O)CC1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C27H41IN4O6Si.C27H40IN3O7Si.C22H37BrN2O6Si.C20H25IN4O7/c1-9-21-22(38-39(7,8)27(4,5)6)13-23(37-21)31-14-17(25(29)30-26(31)33)15-36-24(16(2)3)19-11-10-18(28)12-20(19)32(34)35;1-9-21-22(38-39(7,8)27(4,5)6)13-23(37-21)30-14-17(25(32)29-26(30)33)15-36-24(16(2)3)19-11-10-18(28)12-20(19)31(34)35;1-10-15-16(31-32(8,9)22(5,6)7)11-17(29-15)24-13-14(12-23)18(26)25(19(24)27)20(28)30-21(2,3)4;1-10(2)18(13-4-3-12(21)5-14(13)25(29)30)31-9-11-7-24(20(28)23-19(11)22)17-6-15(27)16(8-26)32-17/h10-12,14,16,21-24H,9,13,15H2,1-8H3,(H2,29,30,33);10-12,14,16,21-24H,9,13,15H2,1-8H3,(H,29,32,33);13,15-17H,10-12H2,1-9H3;3-5,7,10,15-18,26-27H,6,8-9H2,1-2H3,(H2,22,23,28)/t2*21-,22?,23-,24-;15-,16?,17-;15?,16-,17-,18-/m1111/s1
• InChIKey: FTIAINLKICQDTJ-APCBZHJQSA-N
• XLogP: 19.06
• TPSA: 509.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 33
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2440.14
LogP ≤ 5	19.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;tert-butyl 5-(bromomethyl)-3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2,6-dioxopyrimidine-1-carboxylate;1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidine-2,4-dione?

The IUPAC name of 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;tert-butyl 5-(bromomethyl)-3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2,6-dioxopyrimidine-1-carboxylate;1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidine-2,4-dione (CID 158135732) is 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;tert-butyl 5-(bromomethyl)-3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2,6-dioxopyrimidine-1-carboxylate;1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidine-2,4-dione.

What is the SMILES notation for 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;tert-butyl 5-(bromomethyl)-3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2,6-dioxopyrimidine-1-carboxylate;1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidine-2,4-dione?

The canonical SMILES for 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;tert-butyl 5-(bromomethyl)-3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2,6-dioxopyrimidine-1-carboxylate;1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidine-2,4-dione is CC(C)[C@@H](OCc1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)nc1N)c1ccc(I)cc1[N+](=O)[O-].CC[C@H]1O[C@@H](n2cc(CBr)c(=O)n(C(=O)OC(C)(C)C)c2=O)CC1O[Si](C)(C)C(C)(C)C.CC[C@H]1O[C@@H](n2cc(CO[C@@H](c3ccc(I)cc3[N+](=O)[O-])C(C)C)c(=O)[nH]c2=O)CC1O[Si](C)(C)C(C)(C)C.CC[C@H]1O[C@@H](n2cc(CO[C@@H](c3ccc(I)cc3[N+](=O)[O-])C(C)C)c(N)nc2=O)CC1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;tert-butyl 5-(bromomethyl)-3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2,6-dioxopyrimidine-1-carboxylate;1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidine-2,4-dione?

The InChIKey is FTIAINLKICQDTJ-APCBZHJQSA-N. The full InChI is InChI=1S/C27H41IN4O6Si.C27H40IN3O7Si.C22H37BrN2O6Si.C20H25IN4O7/c1-9-21-22(38-39(7,8)27(4,5)6)13-23(37-21)31-14-17(25(29)30-26(31)33)15-36-24(16(2)3)19-11-10-18(28)12-20(19)32(34)35;1-9-21-22(38-39(7,8)27(4,5)6)13-23(37-21)30-14-17(25(32)29-26(30)33)15-36-24(16(2)3)19-11-10-18(28)12-20(19)31(34)35;1-10-15-16(31-32(8,9)22(5,6)7)11-17(29-15)24-13-14(12-23)18(26)25(19(24)27)20(28)30-21(2,3)4;1-10(2)18(13-4-3-12(21)5-14(13)25(29)30)31-9-11-7-24(20(28)23-19(11)22)17-6-15(27)16(8-26)32-17/h10-12,14,16,21-24H,9,13,15H2,1-8H3,(H2,29,30,33);10-12,14,16,21-24H,9,13,15H2,1-8H3,(H,29,32,33);13,15-17H,10-12H2,1-9H3;3-5,7,10,15-18,26-27H,6,8-9H2,1-2H3,(H2,22,23,28)/t2*21-,22?,23-,24-;15-,16?,17-;15?,16-,17-,18-/m1111/s1.

What are the key properties of 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;tert-butyl 5-(bromomethyl)-3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2,6-dioxopyrimidine-1-carboxylate;1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidine-2,4-dione?

4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;tert-butyl 5-(bromomethyl)-3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2,6-dioxopyrimidine-1-carboxylate;1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidine-2,4-dione has a molecular weight of 2440.14 g/mol, XLogP of 19.06, 33 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidin-2-one;tert-butyl 5-(bromomethyl)-3-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-2,6-dioxopyrimidine-1-carboxylate;1-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]-5-[[(1R)-1-(4-iodo-2-nitrophenyl)-2-methylpropoxy]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 158135732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).