4-amino-1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidin-2-one;N-[1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;N-[1-[(1S,3R,4S)-7-hydroxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide

C88H125N11O19Si3 — CID 167658913

About 4-amino-1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidin-2-one;N-[1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;N-[1-[(1S,3R,4S)-7-hydroxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide

4-amino-1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidin-2-one;N-[1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;N-[1-[(1S,3R,4S)-7-hydroxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide (PubChem CID 167658913) has the molecular formula C88H125N11O19Si3 and a molecular weight of 1725.28 g/mol. Its IUPAC name is 4-amino-1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidin-2-one;N-[1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;N-[1-[(1S,3R,4S)-7-hydroxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide.

Molecular Properties

• Compound Name: 4-amino-1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidin-2-one;N-[1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;N-[1-[(1S,3R,4S)-7-hydroxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
• PubChem CID: 167658913
• Molecular Formula: C88H125N11O19Si3
• Molecular Weight: 1725.28 g/mol
• Exact Mass: 1723.85
• IUPAC Name: 4-amino-1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidin-2-one;N-[1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;N-[1-[(1S,3R,4S)-7-hydroxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
• SMILES: Cc1cn([C@@H]2O[C@@]3(C4(C)CC4)CO[C@H]2C3O)c(=O)nc1NC(=O)c1ccccc1.Cc1cn([C@@H]2O[C@@]3(C4(C)CC4)CO[C@H]2C3O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O.Cc1cn([C@@H]2O[C@@]3(C4(C)CC4)CO[C@H]2C3O[Si](C)(C)C(C)(C)C)c(=O)nc1N.Cc1cn([C@@H]2O[C@@]3(C4(C)CC4)CO[C@H]2C3O[Si](C)(C)C(C)(C)C)c(=O)nc1NC(=O)c1ccccc1
• InChI: InChI=1S/C27H37N3O5Si.C21H23N3O5.C20H33N3O4Si.C20H32N2O5Si/c1-17-15-30(24(32)29-21(17)28-22(31)18-11-9-8-10-12-18)23-19-20(35-36(6,7)25(2,3)4)27(34-23,16-33-19)26(5)13-14-26;1-12-10-24(18-14-15(25)21(29-18,11-28-14)20(2)8-9-20)19(27)23-16(12)22-17(26)13-6-4-3-5-7-13;1-12-10-23(17(24)22-15(12)21)16-13-14(27-28(6,7)18(2,3)4)20(26-16,11-25-13)19(5)8-9-19;1-12-10-22(17(24)21-15(12)23)16-13-14(27-28(6,7)18(2,3)4)20(26-16,11-25-13)19(5)8-9-19/h8-12,15,19-20,23H,13-14,16H2,1-7H3,(H,28,29,31,32);3-7,10,14-15,18,25H,8-9,11H2,1-2H3,(H,22,23,26,27);10,13-14,16H,8-9,11H2,1-7H3,(H2,21,22,24);10,13-14,16H,8-9,11H2,1-7H3,(H,21,23,24)/t19-,20?,23+,27-;14-,15?,18+,21-;2*13-,14?,16+,20-/m0000/s1
• InChIKey: RQZYHQWSWLZLNC-NHPKUYTJSA-N
• XLogP: 11.99
• TPSA: 365.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1725.28
LogP ≤ 5	11.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidin-2-one;N-[1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;N-[1-[(1S,3R,4S)-7-hydroxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide?

The IUPAC name of 4-amino-1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidin-2-one;N-[1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;N-[1-[(1S,3R,4S)-7-hydroxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide (CID 167658913) is 4-amino-1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidin-2-one;N-[1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;N-[1-[(1S,3R,4S)-7-hydroxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide.

What is the SMILES notation for 4-amino-1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidin-2-one;N-[1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;N-[1-[(1S,3R,4S)-7-hydroxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide?

The canonical SMILES for 4-amino-1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidin-2-one;N-[1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;N-[1-[(1S,3R,4S)-7-hydroxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide is Cc1cn([C@@H]2O[C@@]3(C4(C)CC4)CO[C@H]2C3O)c(=O)nc1NC(=O)c1ccccc1.Cc1cn([C@@H]2O[C@@]3(C4(C)CC4)CO[C@H]2C3O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O.Cc1cn([C@@H]2O[C@@]3(C4(C)CC4)CO[C@H]2C3O[Si](C)(C)C(C)(C)C)c(=O)nc1N.Cc1cn([C@@H]2O[C@@]3(C4(C)CC4)CO[C@H]2C3O[Si](C)(C)C(C)(C)C)c(=O)nc1NC(=O)c1ccccc1.

What is the InChIKey of 4-amino-1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidin-2-one;N-[1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;N-[1-[(1S,3R,4S)-7-hydroxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide?

The InChIKey is RQZYHQWSWLZLNC-NHPKUYTJSA-N. The full InChI is InChI=1S/C27H37N3O5Si.C21H23N3O5.C20H33N3O4Si.C20H32N2O5Si/c1-17-15-30(24(32)29-21(17)28-22(31)18-11-9-8-10-12-18)23-19-20(35-36(6,7)25(2,3)4)27(34-23,16-33-19)26(5)13-14-26;1-12-10-24(18-14-15(25)21(29-18,11-28-14)20(2)8-9-20)19(27)23-16(12)22-17(26)13-6-4-3-5-7-13;1-12-10-23(17(24)22-15(12)21)16-13-14(27-28(6,7)18(2,3)4)20(26-16,11-25-13)19(5)8-9-19;1-12-10-22(17(24)21-15(12)23)16-13-14(27-28(6,7)18(2,3)4)20(26-16,11-25-13)19(5)8-9-19/h8-12,15,19-20,23H,13-14,16H2,1-7H3,(H,28,29,31,32);3-7,10,14-15,18,25H,8-9,11H2,1-2H3,(H,22,23,26,27);10,13-14,16H,8-9,11H2,1-7H3,(H2,21,22,24);10,13-14,16H,8-9,11H2,1-7H3,(H,21,23,24)/t19-,20?,23+,27-;14-,15?,18+,21-;2*13-,14?,16+,20-/m0000/s1.

What are the key properties of 4-amino-1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidin-2-one;N-[1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;N-[1-[(1S,3R,4S)-7-hydroxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide?

4-amino-1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidin-2-one;N-[1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;N-[1-[(1S,3R,4S)-7-hydroxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide has a molecular weight of 1725.28 g/mol, XLogP of 11.99, 18 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidin-2-one;N-[1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione;N-[1-[(1S,3R,4S)-7-hydroxy-1-(1-methylcyclopropyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 167658913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).