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

C15H18N2O3 — CID 91074443

IUPACethyl 4-methyl-6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1C(C)=NC(=O)NC1c1ccc(C)cc1
InChIInChI=1S/C15H18N2O3/c1-4-20-14(18)12-10(3)16-15(19)17-13(12)11-7-5-9(2)6-8-11/h5-8,12-13H,4H2,1-3H3,(H,17,19)
InChIKeyWOKJMFGCGNYTJU-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.40
Rot. Bonds3

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

ethyl 4-methyl-6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 91074443) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 4-methyl-6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID91074443
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl 4-methyl-6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1C(C)=NC(=O)NC1c1ccc(C)cc1
InChIInChI=1S/C15H18N2O3/c1-4-20-14(18)12-10(3)16-15(19)17-13(12)11-7-5-9(2)6-8-11/h5-8,12-13H,4H2,1-3H3,(H,17,19)
InChIKeyWOKJMFGCGNYTJU-UHFFFAOYSA-N
XLogP2.40
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (CID 91074443) is ethyl 4-methyl-6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1C(C)=NC(=O)NC1c1ccc(C)cc1.
What is the InChIKey of ethyl 4-methyl-6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is WOKJMFGCGNYTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-20-14(18)12-10(3)16-15(19)17-13(12)11-7-5-9(2)6-8-11/h5-8,12-13H,4H2,1-3H3,(H,17,19).
What are the key properties of ethyl 4-methyl-6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 4-methyl-6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 91074443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).