5-methyl-1-[(2R,4S,5R)-4-tri(propan-2-yl)silyloxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidine-2,4-dione

C28H54N2O5Si2 — CID 10875358

About 5-methyl-1-[(2R,4S,5R)-4-tri(propan-2-yl)silyloxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidine-2,4-dione

5-methyl-1-[(2R,4S,5R)-4-tri(propan-2-yl)silyloxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 10875358) has the molecular formula C28H54N2O5Si2 and a molecular weight of 554.92 g/mol. Its IUPAC name is 5-methyl-1-[(2R,4S,5R)-4-tri(propan-2-yl)silyloxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-methyl-1-[(2R,4S,5R)-4-tri(propan-2-yl)silyloxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
• PubChem CID: 10875358
• Molecular Formula: C28H54N2O5Si2
• Molecular Weight: 554.92 g/mol
• Exact Mass: 554.36
• IUPAC Name: 5-methyl-1-[(2R,4S,5R)-4-tri(propan-2-yl)silyloxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
• SMILES: Cc1cn([C@H]2C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C28H54N2O5Si2/c1-17(2)36(18(3)4,19(5)6)33-16-25-24(35-37(20(7)8,21(9)10)22(11)12)14-26(34-25)30-15-23(13)27(31)29-28(30)32/h15,17-22,24-26H,14,16H2,1-13H3,(H,29,31,32)/t24-,25+,26+/m0/s1
• InChIKey: VISLIJJDZMIJOL-JIMJEQGWSA-N
• XLogP: 6.89
• TPSA: 82.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.92
LogP ≤ 5	6.89
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 5-methyl-1-[(2R,4S,5R)-4-tri(propan-2-yl)silyloxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidine-2,4-dione?

The IUPAC name of 5-methyl-1-[(2R,4S,5R)-4-tri(propan-2-yl)silyloxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidine-2,4-dione (CID 10875358) is 5-methyl-1-[(2R,4S,5R)-4-tri(propan-2-yl)silyloxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 5-methyl-1-[(2R,4S,5R)-4-tri(propan-2-yl)silyloxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidine-2,4-dione?

The canonical SMILES for 5-methyl-1-[(2R,4S,5R)-4-tri(propan-2-yl)silyloxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidine-2,4-dione is Cc1cn([C@H]2C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O2)c(=O)[nH]c1=O.

What is the InChIKey of 5-methyl-1-[(2R,4S,5R)-4-tri(propan-2-yl)silyloxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidine-2,4-dione?

The InChIKey is VISLIJJDZMIJOL-JIMJEQGWSA-N. The full InChI is InChI=1S/C28H54N2O5Si2/c1-17(2)36(18(3)4,19(5)6)33-16-25-24(35-37(20(7)8,21(9)10)22(11)12)14-26(34-25)30-15-23(13)27(31)29-28(30)32/h15,17-22,24-26H,14,16H2,1-13H3,(H,29,31,32)/t24-,25+,26+/m0/s1.

What are the key properties of 5-methyl-1-[(2R,4S,5R)-4-tri(propan-2-yl)silyloxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidine-2,4-dione?

5-methyl-1-[(2R,4S,5R)-4-tri(propan-2-yl)silyloxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 554.92 g/mol, XLogP of 6.89, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1-[(2R,4S,5R)-4-tri(propan-2-yl)silyloxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 10875358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).