4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one

C16H25Cl2N3O2Si — CID 170969924

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC1CC(=O)N(Cc2cnc(Cl)nc2Cl)C1
InChIInChI=1S/C16H25Cl2N3O2Si/c1-16(2,3)24(4,5)23-10-11-6-13(22)21(8-11)9-12-7-19-15(18)20-14(12)17/h7,11H,6,8-10H2,1-5H3
InChIKeyWUEDWTSXSUBNCZ-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.15
Rot. Bonds5

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one (PubChem CID 170969924) has the molecular formula C16H25Cl2N3O2Si and a molecular weight of 390.39 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one
PubChem CID170969924
Molecular FormulaC16H25Cl2N3O2Si
Molecular Weight390.39 g/mol
Exact Mass389.11
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC1CC(=O)N(Cc2cnc(Cl)nc2Cl)C1
InChIInChI=1S/C16H25Cl2N3O2Si/c1-16(2,3)24(4,5)23-10-11-6-13(22)21(8-11)9-12-7-19-15(18)20-14(12)17/h7,11H,6,8-10H2,1-5H3
InChIKeyWUEDWTSXSUBNCZ-UHFFFAOYSA-N
XLogP4.15
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one (CID 170969924) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one is CC(C)(C)[Si](C)(C)OCC1CC(=O)N(Cc2cnc(Cl)nc2Cl)C1.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one?
The InChIKey is WUEDWTSXSUBNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N3O2Si/c1-16(2,3)24(4,5)23-10-11-6-13(22)21(8-11)9-12-7-19-15(18)20-14(12)17/h7,11H,6,8-10H2,1-5H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one has a molecular weight of 390.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 170969924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).