1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(2-trimethylsilylethyl)pyrimidine-2,4-dione

C15H26N2O4Si — CID 5270498

IUPAC1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(2-trimethylsilylethyl)pyrimidine-2,4-dione
SMILESC[Si](C)(C)CCc1cn([C@@H]2C[C@H](CO)[C@@H](O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C15H26N2O4Si/c1-22(2,3)5-4-10-8-17(15(21)16-14(10)20)12-6-11(9-18)13(19)7-12/h8,11-13,18-19H,4-7,9H2,1-3H3,(H,16,20,21)/t11-,12-,13+/m1/s1
InChIKeyWHLCWKVBZFRYCW-UPJWGTAASA-N
MW326.47 g/mol
LogP0.72
Rot. Bonds5

About 1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(2-trimethylsilylethyl)pyrimidine-2,4-dione

1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(2-trimethylsilylethyl)pyrimidine-2,4-dione (PubChem CID 5270498) has the molecular formula C15H26N2O4Si and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(2-trimethylsilylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(2-trimethylsilylethyl)pyrimidine-2,4-dione
PubChem CID5270498
Molecular FormulaC15H26N2O4Si
Molecular Weight326.47 g/mol
Exact Mass326.17
IUPAC Name1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(2-trimethylsilylethyl)pyrimidine-2,4-dione
SMILESC[Si](C)(C)CCc1cn([C@@H]2C[C@H](CO)[C@@H](O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C15H26N2O4Si/c1-22(2,3)5-4-10-8-17(15(21)16-14(10)20)12-6-11(9-18)13(19)7-12/h8,11-13,18-19H,4-7,9H2,1-3H3,(H,16,20,21)/t11-,12-,13+/m1/s1
InChIKeyWHLCWKVBZFRYCW-UPJWGTAASA-N
XLogP0.72
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 50.72
H-Bond Donors ≤ 53
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-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(2-trimethylsilylethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(2-trimethylsilylethyl)pyrimidine-2,4-dione (CID 5270498) is 1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(2-trimethylsilylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(2-trimethylsilylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(2-trimethylsilylethyl)pyrimidine-2,4-dione is C[Si](C)(C)CCc1cn([C@@H]2C[C@H](CO)[C@@H](O)C2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(2-trimethylsilylethyl)pyrimidine-2,4-dione?
The InChIKey is WHLCWKVBZFRYCW-UPJWGTAASA-N. The full InChI is InChI=1S/C15H26N2O4Si/c1-22(2,3)5-4-10-8-17(15(21)16-14(10)20)12-6-11(9-18)13(19)7-12/h8,11-13,18-19H,4-7,9H2,1-3H3,(H,16,20,21)/t11-,12-,13+/m1/s1.
What are the key properties of 1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(2-trimethylsilylethyl)pyrimidine-2,4-dione?
1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(2-trimethylsilylethyl)pyrimidine-2,4-dione has a molecular weight of 326.47 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(2-trimethylsilylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 5270498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).