ethyl 6-methyl-2-oxo-4-(2-trimethylsilylethynyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

C13H20N2O3Si — CID 102579599

IUPACethyl 6-methyl-2-oxo-4-(2-trimethylsilylethynyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)NC1C#C[Si](C)(C)C
InChIInChI=1S/C13H20N2O3Si/c1-6-18-12(16)11-9(2)14-13(17)15-10(11)7-8-19(3,4)5/h10H,6H2,1-5H3,(H2,14,15,17)
InChIKeyTVCPCMOIRZIFDQ-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.39
Rot. Bonds2

About ethyl 6-methyl-2-oxo-4-(2-trimethylsilylethynyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 6-methyl-2-oxo-4-(2-trimethylsilylethynyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 102579599) has the molecular formula C13H20N2O3Si and a molecular weight of 280.40 g/mol. Its IUPAC name is ethyl 6-methyl-2-oxo-4-(2-trimethylsilylethynyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-oxo-4-(2-trimethylsilylethynyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID102579599
Molecular FormulaC13H20N2O3Si
Molecular Weight280.40 g/mol
Exact Mass280.12
IUPAC Nameethyl 6-methyl-2-oxo-4-(2-trimethylsilylethynyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)NC1C#C[Si](C)(C)C
InChIInChI=1S/C13H20N2O3Si/c1-6-18-12(16)11-9(2)14-13(17)15-10(11)7-8-19(3,4)5/h10H,6H2,1-5H3,(H2,14,15,17)
InChIKeyTVCPCMOIRZIFDQ-UHFFFAOYSA-N
XLogP1.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(3-hydroxy-3-phenylpent-1-ynyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102579600
ethyl 4-(2-chloroethyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102341980
ethyl 4-butyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 11128419
ethyl (4R)-6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 6976335
ethyl (4R)-4-heptyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 92905967
ethyl 6-methyl-4-octyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102498027
ethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 98131682
ethyl 4-(5-iodofuran-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2895794
ethyl (4R)-4-(3,4-dihydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7584002
ethyl 4-(1H-imidazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 143534682
ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 650029
ethyl (4S)-6-methyl-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1202613

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-oxo-4-(2-trimethylsilylethynyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-2-oxo-4-(2-trimethylsilylethynyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 102579599) is ethyl 6-methyl-2-oxo-4-(2-trimethylsilylethynyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-oxo-4-(2-trimethylsilylethynyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-oxo-4-(2-trimethylsilylethynyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(C)NC(=O)NC1C#C[Si](C)(C)C.
What is the InChIKey of ethyl 6-methyl-2-oxo-4-(2-trimethylsilylethynyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is TVCPCMOIRZIFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3Si/c1-6-18-12(16)11-9(2)14-13(17)15-10(11)7-8-19(3,4)5/h10H,6H2,1-5H3,(H2,14,15,17).
What are the key properties of ethyl 6-methyl-2-oxo-4-(2-trimethylsilylethynyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-methyl-2-oxo-4-(2-trimethylsilylethynyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 280.40 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-oxo-4-(2-trimethylsilylethynyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 102579599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).