ethyl 6-[3-(4-methoxyphenoxy)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C19H24N2O7 — CID 4800396

IUPACethyl 6-[3-(4-methoxyphenoxy)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)CCOc2ccc(OC)cc2)NC(=O)NC1C
InChIInChI=1S/C19H24N2O7/c1-4-26-18(23)17-12(2)20-19(24)21-15(17)11-28-16(22)9-10-27-14-7-5-13(25-3)6-8-14/h5-8,12H,4,9-11H2,1-3H3,(H2,20,21,24)
InChIKeyXGMGAPPMZGFFME-UHFFFAOYSA-N
MW392.41 g/mol
LogP1.53
Rot. Bonds9

About ethyl 6-[3-(4-methoxyphenoxy)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 6-[3-(4-methoxyphenoxy)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 4800396) has the molecular formula C19H24N2O7 and a molecular weight of 392.41 g/mol. Its IUPAC name is ethyl 6-[3-(4-methoxyphenoxy)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[3-(4-methoxyphenoxy)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID4800396
Molecular FormulaC19H24N2O7
Molecular Weight392.41 g/mol
Exact Mass392.16
IUPAC Nameethyl 6-[3-(4-methoxyphenoxy)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)CCOc2ccc(OC)cc2)NC(=O)NC1C
InChIInChI=1S/C19H24N2O7/c1-4-26-18(23)17-12(2)20-19(24)21-15(17)11-28-16(22)9-10-27-14-7-5-13(25-3)6-8-14/h5-8,12H,4,9-11H2,1-3H3,(H2,20,21,24)
InChIKeyXGMGAPPMZGFFME-UHFFFAOYSA-N
XLogP1.53
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[3-(4-methoxyphenoxy)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[3-(4-methoxyphenoxy)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-[3-(4-methoxyphenoxy)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 4800396) is ethyl 6-[3-(4-methoxyphenoxy)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-[3-(4-methoxyphenoxy)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-[3-(4-methoxyphenoxy)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)CCOc2ccc(OC)cc2)NC(=O)NC1C.
What is the InChIKey of ethyl 6-[3-(4-methoxyphenoxy)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is XGMGAPPMZGFFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O7/c1-4-26-18(23)17-12(2)20-19(24)21-15(17)11-28-16(22)9-10-27-14-7-5-13(25-3)6-8-14/h5-8,12H,4,9-11H2,1-3H3,(H2,20,21,24).
What are the key properties of ethyl 6-[3-(4-methoxyphenoxy)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-[3-(4-methoxyphenoxy)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 392.41 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[3-(4-methoxyphenoxy)propanoyloxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 4800396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).