2-Methoxyethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C13H16N2O5 — CID 3370723

IUPAC2-methoxyethyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(NC(=O)N1)C2=CC=CO2)C(=O)OCCOC
InChIInChI=1S/C13H16N2O5/c1-8-10(12(16)20-7-6-18-2)11(15-13(17)14-8)9-4-3-5-19-9/h3-5,11H,6-7H2,1-2H3,(H2,14,15,17)
InChIKeyCHKOFEIEKKWCRJ-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.00
Rot. Bonds6

About 2-Methoxyethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2-Methoxyethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (PubChem CID 3370723) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-methoxyethyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name2-Methoxyethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
PubChem CID3370723
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-methoxyethyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(NC(=O)N1)C2=CC=CO2)C(=O)OCCOC
InChIInChI=1S/C13H16N2O5/c1-8-10(12(16)20-7-6-18-2)11(15-13(17)14-8)9-4-3-5-19-9/h3-5,11H,6-7H2,1-2H3,(H2,14,15,17)
InChIKeyCHKOFEIEKKWCRJ-UHFFFAOYSA-N
XLogP0.00
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity421

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-Methoxyethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The IUPAC name of 2-Methoxyethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CID 3370723) is 2-methoxyethyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for 2-Methoxyethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The canonical SMILES for 2-Methoxyethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is CC1=C(C(NC(=O)N1)C2=CC=CO2)C(=O)OCCOC.
What is the InChIKey of 2-Methoxyethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The InChIKey is CHKOFEIEKKWCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-8-10(12(16)20-7-6-18-2)11(15-13(17)14-8)9-4-3-5-19-9/h3-5,11H,6-7H2,1-2H3,(H2,14,15,17).
What are the key properties of 2-Methoxyethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
2-Methoxyethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate has a molecular weight of 280.28 g/mol, XLogP of 0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Methoxyethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is sourced from PubChem (CID 3370723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).