1-[(2S,4S,5S)-2-diphenylsilyl-4-(3-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C29H38N2O5Si — CID 173294857

About 1-[(2S,4S,5S)-2-diphenylsilyl-4-(3-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2S,4S,5S)-2-diphenylsilyl-4-(3-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 173294857) has the molecular formula C29H38N2O5Si and a molecular weight of 522.72 g/mol. Its IUPAC name is 1-[(2S,4S,5S)-2-diphenylsilyl-4-(3-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2S,4S,5S)-2-diphenylsilyl-4-(3-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• PubChem CID: 173294857
• Molecular Formula: C29H38N2O5Si
• Molecular Weight: 522.72 g/mol
• Exact Mass: 522.25
• IUPAC Name: 1-[(2S,4S,5S)-2-diphenylsilyl-4-(3-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• SMILES: Cc1cn([C@@]2([SiH](c3ccccc3)c3ccccc3)C[C@H](CCCO)[C@@H](COC(C)(C)C)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C29H38N2O5Si/c1-21-19-31(27(34)30-26(21)33)29(18-22(12-11-17-32)25(36-29)20-35-28(2,3)4)37(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-10,13-16,19,22,25,32,37H,11-12,17-18,20H2,1-4H3,(H,30,33,34)/t22-,25+,29-/m0/s1
• InChIKey: LGNBUEHJMXNKCU-HQQGYVGFSA-N
• XLogP: 2.07
• TPSA: 93.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.72
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	2
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 1-[(2S,4S,5S)-2-diphenylsilyl-4-(3-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The IUPAC name of 1-[(2S,4S,5S)-2-diphenylsilyl-4-(3-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 173294857) is 1-[(2S,4S,5S)-2-diphenylsilyl-4-(3-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2S,4S,5S)-2-diphenylsilyl-4-(3-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The canonical SMILES for 1-[(2S,4S,5S)-2-diphenylsilyl-4-(3-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@]2([SiH](c3ccccc3)c3ccccc3)C[C@H](CCCO)[C@@H](COC(C)(C)C)O2)c(=O)[nH]c1=O.

What is the InChIKey of 1-[(2S,4S,5S)-2-diphenylsilyl-4-(3-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The InChIKey is LGNBUEHJMXNKCU-HQQGYVGFSA-N. The full InChI is InChI=1S/C29H38N2O5Si/c1-21-19-31(27(34)30-26(21)33)29(18-22(12-11-17-32)25(36-29)20-35-28(2,3)4)37(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-10,13-16,19,22,25,32,37H,11-12,17-18,20H2,1-4H3,(H,30,33,34)/t22-,25+,29-/m0/s1.

What are the key properties of 1-[(2S,4S,5S)-2-diphenylsilyl-4-(3-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

1-[(2S,4S,5S)-2-diphenylsilyl-4-(3-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 522.72 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S,4S,5S)-2-diphenylsilyl-4-(3-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 173294857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).