4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3-difluorooxolan-2-yl]pyrimidin-2-one

C21H39F2N3O4Si2 — CID 175063947

About 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3-difluorooxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3-difluorooxolan-2-yl]pyrimidin-2-one (PubChem CID 175063947) has the molecular formula C21H39F2N3O4Si2 and a molecular weight of 491.73 g/mol. Its IUPAC name is 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3-difluorooxolan-2-yl]pyrimidin-2-one.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3-difluorooxolan-2-yl]pyrimidin-2-one
• PubChem CID: 175063947
• Molecular Formula: C21H39F2N3O4Si2
• Molecular Weight: 491.73 g/mol
• Exact Mass: 491.24
• IUPAC Name: 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3-difluorooxolan-2-yl]pyrimidin-2-one
• SMILES: C[SiH](C)OC([C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O[Si](C)(C)C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C21H39F2N3O4Si2/c1-19(2,3)15(29-31(7)8)14-16(30-32(9,10)20(4,5)6)21(22,23)17(28-14)26-12-11-13(24)25-18(26)27/h11-12,14-17,31H,1-10H3,(H2,24,25,27)/t14-,15?,16-,17-/m1/s1
• InChIKey: OJPFGKYZRFKEHP-FNAUVDMUSA-N
• XLogP: 4.16
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.73
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3-difluorooxolan-2-yl]pyrimidin-2-one?

The IUPAC name of 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3-difluorooxolan-2-yl]pyrimidin-2-one (CID 175063947) is 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3-difluorooxolan-2-yl]pyrimidin-2-one.

What is the SMILES notation for 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3-difluorooxolan-2-yl]pyrimidin-2-one?

The canonical SMILES for 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3-difluorooxolan-2-yl]pyrimidin-2-one is C[SiH](C)OC([C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O[Si](C)(C)C(C)(C)C)C(C)(C)C.

What is the InChIKey of 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3-difluorooxolan-2-yl]pyrimidin-2-one?

The InChIKey is OJPFGKYZRFKEHP-FNAUVDMUSA-N. The full InChI is InChI=1S/C21H39F2N3O4Si2/c1-19(2,3)15(29-31(7)8)14-16(30-32(9,10)20(4,5)6)21(22,23)17(28-14)26-12-11-13(24)25-18(26)27/h11-12,14-17,31H,1-10H3,(H2,24,25,27)/t14-,15?,16-,17-/m1/s1.

What are the key properties of 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3-difluorooxolan-2-yl]pyrimidin-2-one?

4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3-difluorooxolan-2-yl]pyrimidin-2-one has a molecular weight of 491.73 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3,3-difluorooxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 175063947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).