4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[(2-methyl-1-phenylpropoxy)methyl]pyrimidin-2-one

C32H55N3O5Si2 — CID 86343491

About 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[(2-methyl-1-phenylpropoxy)methyl]pyrimidin-2-one

4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[(2-methyl-1-phenylpropoxy)methyl]pyrimidin-2-one (PubChem CID 86343491) has the molecular formula C32H55N3O5Si2 and a molecular weight of 617.98 g/mol. Its IUPAC name is 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[(2-methyl-1-phenylpropoxy)methyl]pyrimidin-2-one.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[(2-methyl-1-phenylpropoxy)methyl]pyrimidin-2-one
• PubChem CID: 86343491
• Molecular Formula: C32H55N3O5Si2
• Molecular Weight: 617.98 g/mol
• Exact Mass: 617.37
• IUPAC Name: 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[(2-methyl-1-phenylpropoxy)methyl]pyrimidin-2-one
• SMILES: CC(C)C(OCc1cn([C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1N)c1ccccc1
• InChI: InChI=1S/C32H55N3O5Si2/c1-22(2)28(23-16-14-13-15-17-23)37-20-24-19-35(30(36)34-29(24)33)27-18-25(40-42(11,12)32(6,7)8)26(39-27)21-38-41(9,10)31(3,4)5/h13-17,19,22,25-28H,18,20-21H2,1-12H3,(H2,33,34,36)/t25-,26-,27-,28?/m1/s1
• InChIKey: YNMFMRHBBIYXJW-STQJPMTFSA-N
• XLogP: 7.44
• TPSA: 97.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.98
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	1
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,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[(2-methyl-1-phenylpropoxy)methyl]pyrimidin-2-one?

The IUPAC name of 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[(2-methyl-1-phenylpropoxy)methyl]pyrimidin-2-one (CID 86343491) is 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[(2-methyl-1-phenylpropoxy)methyl]pyrimidin-2-one.

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

The canonical SMILES for 4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[(2-methyl-1-phenylpropoxy)methyl]pyrimidin-2-one is CC(C)C(OCc1cn([C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1N)c1ccccc1.

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

The InChIKey is YNMFMRHBBIYXJW-STQJPMTFSA-N. The full InChI is InChI=1S/C32H55N3O5Si2/c1-22(2)28(23-16-14-13-15-17-23)37-20-24-19-35(30(36)34-29(24)33)27-18-25(40-42(11,12)32(6,7)8)26(39-27)21-38-41(9,10)31(3,4)5/h13-17,19,22,25-28H,18,20-21H2,1-12H3,(H2,33,34,36)/t25-,26-,27-,28?/m1/s1.

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

4-amino-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[(2-methyl-1-phenylpropoxy)methyl]pyrimidin-2-one has a molecular weight of 617.98 g/mol, XLogP of 7.44, 11 rotatable bonds, 1 hydrogen bond donors, and 8 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-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[(2-methyl-1-phenylpropoxy)methyl]pyrimidin-2-one is sourced from PubChem (CID 86343491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).