2-methoxyethyl 4-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C19H18Cl2N2O5 — CID 2874231

IUPAC2-methoxyethyl 4-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C19H18Cl2N2O5/c1-10-16(18(24)27-8-7-26-2)17(23-19(25)22-10)15-6-5-14(28-15)12-9-11(20)3-4-13(12)21/h3-6,9,17H,7-8H2,1-2H3,(H2,22,23,25)
InChIKeyVNNPWFPFVADQOP-UHFFFAOYSA-N
MW425.27 g/mol
LogP4.07
Rot. Bonds6

About 2-methoxyethyl 4-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

2-methoxyethyl 4-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 2874231) has the molecular formula C19H18Cl2N2O5 and a molecular weight of 425.27 g/mol. Its IUPAC name is 2-methoxyethyl 4-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID2874231
Molecular FormulaC19H18Cl2N2O5
Molecular Weight425.27 g/mol
Exact Mass424.06
IUPAC Name2-methoxyethyl 4-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C19H18Cl2N2O5/c1-10-16(18(24)27-8-7-26-2)17(23-19(25)22-10)15-6-5-14(28-15)12-9-11(20)3-4-13(12)21/h3-6,9,17H,7-8H2,1-2H3,(H2,22,23,25)
InChIKeyVNNPWFPFVADQOP-UHFFFAOYSA-N
XLogP4.07
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.27
LogP ≤ 54.07
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-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of 2-methoxyethyl 4-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 2874231) is 2-methoxyethyl 4-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is COCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of 2-methoxyethyl 4-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is VNNPWFPFVADQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O5/c1-10-16(18(24)27-8-7-26-2)17(23-19(25)22-10)15-6-5-14(28-15)12-9-11(20)3-4-13(12)21/h3-6,9,17H,7-8H2,1-2H3,(H2,22,23,25).
What are the key properties of 2-methoxyethyl 4-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
2-methoxyethyl 4-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 425.27 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2874231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).