1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-(3,5-dimethylphenyl)selanyl-5-propan-2-ylpyrimidine-2,4-dione

C24H38N2O4SeSi — CID 10768420

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-(3,5-dimethylphenyl)selanyl-5-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cc(C)cc([Se]c2c(C(C)C)c(=O)[nH]c(=O)n2COCCO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C24H38N2O4SeSi/c1-16(2)20-21(27)25-23(28)26(15-29-10-11-30-32(8,9)24(5,6)7)22(20)31-19-13-17(3)12-18(4)14-19/h12-14,16H,10-11,15H2,1-9H3,(H,25,27,28)
InChIKeyQWWKSFUXETVZOG-UHFFFAOYSA-N
MW525.62 g/mol
LogP2.93
Rot. Bonds9

About 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-(3,5-dimethylphenyl)selanyl-5-propan-2-ylpyrimidine-2,4-dione

1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-(3,5-dimethylphenyl)selanyl-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 10768420) has the molecular formula C24H38N2O4SeSi and a molecular weight of 525.62 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-(3,5-dimethylphenyl)selanyl-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-(3,5-dimethylphenyl)selanyl-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID10768420
Molecular FormulaC24H38N2O4SeSi
Molecular Weight525.62 g/mol
Exact Mass526.18
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-(3,5-dimethylphenyl)selanyl-5-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cc(C)cc([Se]c2c(C(C)C)c(=O)[nH]c(=O)n2COCCO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C24H38N2O4SeSi/c1-16(2)20-21(27)25-23(28)26(15-29-10-11-30-32(8,9)24(5,6)7)22(20)31-19-13-17(3)12-18(4)14-19/h12-14,16H,10-11,15H2,1-9H3,(H,25,27,28)
InChIKeyQWWKSFUXETVZOG-UHFFFAOYSA-N
XLogP2.93
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.62
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-(3,5-dimethylphenyl)selanyl-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-(3,5-dimethylphenyl)selanyl-5-propan-2-ylpyrimidine-2,4-dione (CID 10768420) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-(3,5-dimethylphenyl)selanyl-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-(3,5-dimethylphenyl)selanyl-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-(3,5-dimethylphenyl)selanyl-5-propan-2-ylpyrimidine-2,4-dione is Cc1cc(C)cc([Se]c2c(C(C)C)c(=O)[nH]c(=O)n2COCCO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-(3,5-dimethylphenyl)selanyl-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is QWWKSFUXETVZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O4SeSi/c1-16(2)20-21(27)25-23(28)26(15-29-10-11-30-32(8,9)24(5,6)7)22(20)31-19-13-17(3)12-18(4)14-19/h12-14,16H,10-11,15H2,1-9H3,(H,25,27,28).
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-(3,5-dimethylphenyl)selanyl-5-propan-2-ylpyrimidine-2,4-dione?
1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-(3,5-dimethylphenyl)selanyl-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 525.62 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-(3,5-dimethylphenyl)selanyl-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 10768420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).