(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;5-fluoro-2-[(2R,3R)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine;5-fluoro-2-[(2S,3S)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine

C50H74F4N14O10S4Si2 — CID 158967797

About (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;5-fluoro-2-[(2R,3R)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine;5-fluoro-2-[(2S,3S)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine

(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;5-fluoro-2-[(2R,3R)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine;5-fluoro-2-[(2S,3S)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine (PubChem CID 158967797) has the molecular formula C50H74F4N14O10S4Si2 and a molecular weight of 1291.66 g/mol. Its IUPAC name is (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;5-fluoro-2-[(2R,3R)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine;5-fluoro-2-[(2S,3S)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine.

Molecular Properties

• Compound Name: (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;5-fluoro-2-[(2R,3R)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine;5-fluoro-2-[(2S,3S)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine
• PubChem CID: 158967797
• Molecular Formula: C50H74F4N14O10S4Si2
• Molecular Weight: 1291.66 g/mol
• Exact Mass: 1290.41
• IUPAC Name: (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;5-fluoro-2-[(2R,3R)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine;5-fluoro-2-[(2S,3S)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine
• SMILES: C[C@@H]([C@@H](O[Si](C)(C)C(C)(C)C)c1ncc(F)cn1)S(N)(=O)=O.C[C@@H](c1ncc(F)cn1)[C@H](C)S(=O)(=O)c1ncccn1.C[C@H]([C@H](O[Si](C)(C)C(C)(C)C)c1ncc(F)cn1)S(N)(=O)=O.C[C@H](c1ncc(F)cn1)[C@@H](C)S(=O)(=O)c1ncccn1
• InChI: InChI=1S/2C13H24FN3O3SSi.2C12H13FN4O2S/c2*1-9(21(15,18)19)11(12-16-7-10(14)8-17-12)20-22(5,6)13(2,3)4;2*1-8(11-16-6-10(13)7-17-11)9(2)20(18,19)12-14-4-3-5-15-12/h2*7-9,11H,1-6H3,(H2,15,18,19);2*3-9H,1-2H3/t2*9-,11+;2*8-,9+/m1010/s1
• InChIKey: JNKSPQPXMCOJIW-IRFRMNBDSA-N
• XLogP: 7.45
• TPSA: 361.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1291.66
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;5-fluoro-2-[(2R,3R)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine;5-fluoro-2-[(2S,3S)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine?

The IUPAC name of (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;5-fluoro-2-[(2R,3R)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine;5-fluoro-2-[(2S,3S)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine (CID 158967797) is (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;5-fluoro-2-[(2R,3R)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine;5-fluoro-2-[(2S,3S)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine.

What is the SMILES notation for (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;5-fluoro-2-[(2R,3R)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine;5-fluoro-2-[(2S,3S)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine?

The canonical SMILES for (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;5-fluoro-2-[(2R,3R)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine;5-fluoro-2-[(2S,3S)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine is C[C@@H]([C@@H](O[Si](C)(C)C(C)(C)C)c1ncc(F)cn1)S(N)(=O)=O.C[C@@H](c1ncc(F)cn1)[C@H](C)S(=O)(=O)c1ncccn1.C[C@H]([C@H](O[Si](C)(C)C(C)(C)C)c1ncc(F)cn1)S(N)(=O)=O.C[C@H](c1ncc(F)cn1)[C@@H](C)S(=O)(=O)c1ncccn1.

What is the InChIKey of (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;5-fluoro-2-[(2R,3R)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine;5-fluoro-2-[(2S,3S)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine?

The InChIKey is JNKSPQPXMCOJIW-IRFRMNBDSA-N. The full InChI is InChI=1S/2C13H24FN3O3SSi.2C12H13FN4O2S/c2*1-9(21(15,18)19)11(12-16-7-10(14)8-17-12)20-22(5,6)13(2,3)4;2*1-8(11-16-6-10(13)7-17-11)9(2)20(18,19)12-14-4-3-5-15-12/h2*7-9,11H,1-6H3,(H2,15,18,19);2*3-9H,1-2H3/t2*9-,11+;2*8-,9+/m1010/s1.

What are the key properties of (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;5-fluoro-2-[(2R,3R)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine;5-fluoro-2-[(2S,3S)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine?

(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;5-fluoro-2-[(2R,3R)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine;5-fluoro-2-[(2S,3S)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine has a molecular weight of 1291.66 g/mol, XLogP of 7.45, 18 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;5-fluoro-2-[(2R,3R)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine;5-fluoro-2-[(2S,3S)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine is sourced from PubChem (CID 158967797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).