4-amino-1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidin-2-one

C15H25F2N3O4Si — CID 174057845

About 4-amino-1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidin-2-one (PubChem CID 174057845) has the molecular formula C15H25F2N3O4Si and a molecular weight of 377.46 g/mol. Its IUPAC name is 4-amino-1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

• Compound Name: 4-amino-1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidin-2-one
• PubChem CID: 174057845
• Molecular Formula: C15H25F2N3O4Si
• Molecular Weight: 377.46 g/mol
• Exact Mass: 377.16
• IUPAC Name: 4-amino-1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidin-2-one
• SMILES: C[SiH](C)[C@@]1(n2ccc(N)nc2=O)O[C@H](CO)[C@@H](OC(C)(C)C)C1(F)F
• InChI: InChI=1S/C15H25F2N3O4Si/c1-13(2,3)24-11-9(8-21)23-15(25(4)5,14(11,16)17)20-7-6-10(18)19-12(20)22/h6-7,9,11,21,25H,8H2,1-5H3,(H2,18,19,22)/t9-,11-,15+/m1/s1
• InChIKey: IPXXJXJGWOHTFR-OSQNNJELSA-N
• XLogP: 0.71
• TPSA: 99.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.46
LogP ≤ 5	0.71
H-Bond Donors ≤ 5	2
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-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidin-2-one?

The IUPAC name of 4-amino-1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidin-2-one (CID 174057845) is 4-amino-1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidin-2-one.

What is the SMILES notation for 4-amino-1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidin-2-one?

The canonical SMILES for 4-amino-1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidin-2-one is C[SiH](C)[C@@]1(n2ccc(N)nc2=O)O[C@H](CO)[C@@H](OC(C)(C)C)C1(F)F.

What is the InChIKey of 4-amino-1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidin-2-one?

The InChIKey is IPXXJXJGWOHTFR-OSQNNJELSA-N. The full InChI is InChI=1S/C15H25F2N3O4Si/c1-13(2,3)24-11-9(8-21)23-15(25(4)5,14(11,16)17)20-7-6-10(18)19-12(20)22/h6-7,9,11,21,25H,8H2,1-5H3,(H2,18,19,22)/t9-,11-,15+/m1/s1.

What are the key properties of 4-amino-1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidin-2-one?

4-amino-1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidin-2-one has a molecular weight of 377.46 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2S,4R,5R)-2-dimethylsilyl-3,3-difluoro-5-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 174057845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).