tert-butyl N-[(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-1-pyrimidin-2-ylbutan-2-yl]carbamate

C30H41N3O4Si — CID 140879308

About tert-butyl N-[(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-1-pyrimidin-2-ylbutan-2-yl]carbamate

tert-butyl N-[(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-1-pyrimidin-2-ylbutan-2-yl]carbamate (PubChem CID 140879308) has the molecular formula C30H41N3O4Si and a molecular weight of 535.76 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-1-pyrimidin-2-ylbutan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-1-pyrimidin-2-ylbutan-2-yl]carbamate
• PubChem CID: 140879308
• Molecular Formula: C30H41N3O4Si
• Molecular Weight: 535.76 g/mol
• Exact Mass: 535.29
• IUPAC Name: tert-butyl N-[(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-1-pyrimidin-2-ylbutan-2-yl]carbamate
• SMILES: CO[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](Cc1ncccn1)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C30H41N3O4Si/c1-29(2,3)37-28(34)33-25(21-27-31-19-14-20-32-27)26(35-7)22-36-38(30(4,5)6,23-15-10-8-11-16-23)24-17-12-9-13-18-24/h8-20,25-26H,21-22H2,1-7H3,(H,33,34)/t25-,26-/m0/s1
• InChIKey: JAMWSCXIHOYFCS-UIOOFZCWSA-N
• XLogP: 4.50
• TPSA: 82.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.76
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-1-pyrimidin-2-ylbutan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-1-pyrimidin-2-ylbutan-2-yl]carbamate (CID 140879308) is tert-butyl N-[(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-1-pyrimidin-2-ylbutan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-1-pyrimidin-2-ylbutan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-1-pyrimidin-2-ylbutan-2-yl]carbamate is CO[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](Cc1ncccn1)NC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-1-pyrimidin-2-ylbutan-2-yl]carbamate?

The InChIKey is JAMWSCXIHOYFCS-UIOOFZCWSA-N. The full InChI is InChI=1S/C30H41N3O4Si/c1-29(2,3)37-28(34)33-25(21-27-31-19-14-20-32-27)26(35-7)22-36-38(30(4,5)6,23-15-10-8-11-16-23)24-17-12-9-13-18-24/h8-20,25-26H,21-22H2,1-7H3,(H,33,34)/t25-,26-/m0/s1.

What are the key properties of tert-butyl N-[(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-1-pyrimidin-2-ylbutan-2-yl]carbamate?

tert-butyl N-[(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-1-pyrimidin-2-ylbutan-2-yl]carbamate has a molecular weight of 535.76 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-1-pyrimidin-2-ylbutan-2-yl]carbamate is sourced from PubChem (CID 140879308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).