ethyl 6-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C23H26N2O8 — CID 46607095

IUPACethyl 6-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)CCc2ccc(OC)c(OC)c2)NC(=O)NC1c1ccco1
InChIInChI=1S/C23H26N2O8/c1-4-31-22(27)20-15(24-23(28)25-21(20)17-6-5-11-32-17)13-33-19(26)10-8-14-7-9-16(29-2)18(12-14)30-3/h5-7,9,11-12,21H,4,8,10,13H2,1-3H3,(H2,24,25,28)
InChIKeyFAULJGLYSLAKKG-UHFFFAOYSA-N
MW458.47 g/mol
LogP2.64
Rot. Bonds10

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

ethyl 6-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 46607095) has the molecular formula C23H26N2O8 and a molecular weight of 458.47 g/mol. Its IUPAC name is ethyl 6-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID46607095
Molecular FormulaC23H26N2O8
Molecular Weight458.47 g/mol
Exact Mass458.17
IUPAC Nameethyl 6-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)CCc2ccc(OC)c(OC)c2)NC(=O)NC1c1ccco1
InChIInChI=1S/C23H26N2O8/c1-4-31-22(27)20-15(24-23(28)25-21(20)17-6-5-11-32-17)13-33-19(26)10-8-14-7-9-16(29-2)18(12-14)30-3/h5-7,9,11-12,21H,4,8,10,13H2,1-3H3,(H2,24,25,28)
InChIKeyFAULJGLYSLAKKG-UHFFFAOYSA-N
XLogP2.64
TPSA125.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (4S)-6-[[2-(3,4-dimethoxyphenyl)acetyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 27890742
ethyl 4-(furan-2-yl)-6-[3-(1H-indol-3-yl)propanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46606289
ethyl 6-[3-(2,5-dimethylphenoxy)propanoyloxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46605861
ethyl 6-[(2-cyclohexylacetyl)oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46606970
ethyl 4-(furan-2-yl)-2-oxo-6-[[2-[4-(trifluoromethyl)phenyl]acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55460322
ethyl 6-(benzoyloxymethyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55397504
ethyl 4-(furan-2-yl)-6-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46608748
ethyl 6-[(2-bromo-4-chlorophenoxy)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 60609249
ethyl 6-[(3-fluorobenzoyl)oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55396998
ethyl 4-(furan-2-yl)-6-[(2-iodobenzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55401266
ethyl (4R)-6-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 27866583
ethyl 6-[(4-chloro-2-fluorobenzoyl)oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 43015744

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 46607095) is ethyl 6-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)CCc2ccc(OC)c(OC)c2)NC(=O)NC1c1ccco1.
What is the InChIKey of ethyl 6-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is FAULJGLYSLAKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O8/c1-4-31-22(27)20-15(24-23(28)25-21(20)17-6-5-11-32-17)13-33-19(26)10-8-14-7-9-16(29-2)18(12-14)30-3/h5-7,9,11-12,21H,4,8,10,13H2,1-3H3,(H2,24,25,28).
What are the key properties of ethyl 6-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 458.47 g/mol, XLogP of 2.64, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[3-(3,4-dimethoxyphenyl)propanoyloxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 46607095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).