1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione

C26H32N2O4Si — CID 57313403

IUPAC1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C26H32N2O4Si/c1-18-17-28(25(30)27-24(18)29)23-16-22(19(2)31-23)32-33(26(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,17,19,22-23H,16H2,1-5H3,(H,27,29,30)/t19-,22?,23-/m1/s1
InChIKeyCRBKXBIDKBZMMW-QQHBYLCDSA-N
MW464.64 g/mol
LogP3.10
Rot. Bonds5

About 1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 57313403) has the molecular formula C26H32N2O4Si and a molecular weight of 464.64 g/mol. Its IUPAC name is 1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID57313403
Molecular FormulaC26H32N2O4Si
Molecular Weight464.64 g/mol
Exact Mass464.21
IUPAC Name1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C26H32N2O4Si/c1-18-17-28(25(30)27-24(18)29)23-16-22(19(2)31-23)32-33(26(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,17,19,22-23H,16H2,1-5H3,(H,27,29,30)/t19-,22?,23-/m1/s1
InChIKeyCRBKXBIDKBZMMW-QQHBYLCDSA-N
XLogP3.10
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 57313403) is 1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](C)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is CRBKXBIDKBZMMW-QQHBYLCDSA-N. The full InChI is InChI=1S/C26H32N2O4Si/c1-18-17-28(25(30)27-24(18)29)23-16-22(19(2)31-23)32-33(26(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,17,19,22-23H,16H2,1-5H3,(H,27,29,30)/t19-,22?,23-/m1/s1.
What are the key properties of 1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 464.64 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 57313403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).