6-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid

C19H28N2O4Si — CID 91497145

IUPAC6-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid
SMILESCCC1=NC(=O)NC(c2cccc(O[Si](C)(C)C(C)(C)C)c2)C1C(=O)O
InChIInChI=1S/C19H28N2O4Si/c1-7-14-15(17(22)23)16(21-18(24)20-14)12-9-8-10-13(11-12)25-26(5,6)19(2,3)4/h8-11,15-16H,7H2,1-6H3,(H,21,24)(H,22,23)
InChIKeyDAGGBVQRVNHYLC-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.39
Rot. Bonds5

About 6-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid

6-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid (PubChem CID 91497145) has the molecular formula C19H28N2O4Si and a molecular weight of 376.53 g/mol. Its IUPAC name is 6-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid
PubChem CID91497145
Molecular FormulaC19H28N2O4Si
Molecular Weight376.53 g/mol
Exact Mass376.18
IUPAC Name6-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid
SMILESCCC1=NC(=O)NC(c2cccc(O[Si](C)(C)C(C)(C)C)c2)C1C(=O)O
InChIInChI=1S/C19H28N2O4Si/c1-7-14-15(17(22)23)16(21-18(24)20-14)12-9-8-10-13(11-12)25-26(5,6)19(2,3)4/h8-11,15-16H,7H2,1-6H3,(H,21,24)(H,22,23)
InChIKeyDAGGBVQRVNHYLC-UHFFFAOYSA-N
XLogP4.39
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid (CID 91497145) is 6-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid is CCC1=NC(=O)NC(c2cccc(O[Si](C)(C)C(C)(C)C)c2)C1C(=O)O.
What is the InChIKey of 6-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid?
The InChIKey is DAGGBVQRVNHYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4Si/c1-7-14-15(17(22)23)16(21-18(24)20-14)12-9-8-10-13(11-12)25-26(5,6)19(2,3)4/h8-11,15-16H,7H2,1-6H3,(H,21,24)(H,22,23).
What are the key properties of 6-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid?
6-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid has a molecular weight of 376.53 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 91497145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).