1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-phenylsulfanylpyrimidine-2,4-dione

C19H28N2O4SSi — CID 14541482

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-phenylsulfanylpyrimidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)OCCOCn1c(Sc2ccccc2)cc(=O)[nH]c1=O
InChIInChI=1S/C19H28N2O4SSi/c1-19(2,3)27(4,5)25-12-11-24-14-21-17(13-16(22)20-18(21)23)26-15-9-7-6-8-10-15/h6-10,13H,11-12,14H2,1-5H3,(H,20,22,23)
InChIKeyLDWUQCRQPWYVJO-UHFFFAOYSA-N
MW408.60 g/mol
LogP3.68
Rot. Bonds8

About 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-phenylsulfanylpyrimidine-2,4-dione

1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-phenylsulfanylpyrimidine-2,4-dione (PubChem CID 14541482) has the molecular formula C19H28N2O4SSi and a molecular weight of 408.60 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-phenylsulfanylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-phenylsulfanylpyrimidine-2,4-dione
PubChem CID14541482
Molecular FormulaC19H28N2O4SSi
Molecular Weight408.60 g/mol
Exact Mass408.15
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-phenylsulfanylpyrimidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)OCCOCn1c(Sc2ccccc2)cc(=O)[nH]c1=O
InChIInChI=1S/C19H28N2O4SSi/c1-19(2,3)27(4,5)25-12-11-24-14-21-17(13-16(22)20-18(21)23)26-15-9-7-6-8-10-15/h6-10,13H,11-12,14H2,1-5H3,(H,20,22,23)
InChIKeyLDWUQCRQPWYVJO-UHFFFAOYSA-N
XLogP3.68
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.60
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-phenylsulfanylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-phenylsulfanylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-phenylsulfanylpyrimidine-2,4-dione (CID 14541482) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-phenylsulfanylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-phenylsulfanylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-phenylsulfanylpyrimidine-2,4-dione is CC(C)(C)[Si](C)(C)OCCOCn1c(Sc2ccccc2)cc(=O)[nH]c1=O.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-phenylsulfanylpyrimidine-2,4-dione?
The InChIKey is LDWUQCRQPWYVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4SSi/c1-19(2,3)27(4,5)25-12-11-24-14-21-17(13-16(22)20-18(21)23)26-15-9-7-6-8-10-15/h6-10,13H,11-12,14H2,1-5H3,(H,20,22,23).
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-phenylsulfanylpyrimidine-2,4-dione?
1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-phenylsulfanylpyrimidine-2,4-dione has a molecular weight of 408.60 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-phenylsulfanylpyrimidine-2,4-dione is sourced from PubChem (CID 14541482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).