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

C18H22N2O6 — CID 25163188

IUPACethyl 4-methyl-2-oxo-6-(3-phenoxypropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)CCOc2ccccc2)NC(=O)NC1C
InChIInChI=1S/C18H22N2O6/c1-3-24-17(22)16-12(2)19-18(23)20-14(16)11-26-15(21)9-10-25-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H2,19,20,23)
InChIKeyMUQNHPGVXZDPFX-UHFFFAOYSA-N
MW362.38 g/mol
LogP1.52
Rot. Bonds8

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

ethyl 4-methyl-2-oxo-6-(3-phenoxypropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 25163188) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is ethyl 4-methyl-2-oxo-6-(3-phenoxypropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-oxo-6-(3-phenoxypropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID25163188
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Nameethyl 4-methyl-2-oxo-6-(3-phenoxypropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)CCOc2ccccc2)NC(=O)NC1C
InChIInChI=1S/C18H22N2O6/c1-3-24-17(22)16-12(2)19-18(23)20-14(16)11-26-15(21)9-10-25-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H2,19,20,23)
InChIKeyMUQNHPGVXZDPFX-UHFFFAOYSA-N
XLogP1.52
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-oxo-6-(3-phenoxypropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-oxo-6-(3-phenoxypropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 25163188) is ethyl 4-methyl-2-oxo-6-(3-phenoxypropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-oxo-6-(3-phenoxypropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-oxo-6-(3-phenoxypropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)CCOc2ccccc2)NC(=O)NC1C.
What is the InChIKey of ethyl 4-methyl-2-oxo-6-(3-phenoxypropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is MUQNHPGVXZDPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6/c1-3-24-17(22)16-12(2)19-18(23)20-14(16)11-26-15(21)9-10-25-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H2,19,20,23).
What are the key properties of ethyl 4-methyl-2-oxo-6-(3-phenoxypropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 4-methyl-2-oxo-6-(3-phenoxypropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 362.38 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-oxo-6-(3-phenoxypropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 25163188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).