4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

C17H31N3O5Si — CID 140810780

About 4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 140810780) has the molecular formula C17H31N3O5Si and a molecular weight of 385.54 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
• PubChem CID: 140810780
• Molecular Formula: C17H31N3O5Si
• Molecular Weight: 385.54 g/mol
• Exact Mass: 385.20
• IUPAC Name: 4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
• SMILES: CCO[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O
• InChI: InChI=1S/C17H31N3O5Si/c1-7-23-14-13(25-26(5,6)17(2,3)4)11(10-21)24-15(14)20-9-8-12(18)19-16(20)22/h8-9,11,13-15,21H,7,10H2,1-6H3,(H2,18,19,22)/t11-,13-,14-,15-/m1/s1
• InChIKey: BISTUVMXPWENRA-NMFUWQPSSA-N
• XLogP: 1.51
• TPSA: 108.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.54
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?

The IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (CID 140810780) is 4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.

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

The canonical SMILES for 4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is CCO[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O.

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

The InChIKey is BISTUVMXPWENRA-NMFUWQPSSA-N. The full InChI is InChI=1S/C17H31N3O5Si/c1-7-23-14-13(25-26(5,6)17(2,3)4)11(10-21)24-15(14)20-9-8-12(18)19-16(20)22/h8-9,11,13-15,21H,7,10H2,1-6H3,(H2,18,19,22)/t11-,13-,14-,15-/m1/s1.

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

4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 385.54 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethoxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 140810780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).