ethyl 4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxylate

C14H16N2O3 — CID 57222749

IUPACethyl 4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1C(C)=NC(=O)NC1c1ccccc1
InChIInChI=1S/C14H16N2O3/c1-3-19-13(17)11-9(2)15-14(18)16-12(11)10-7-5-4-6-8-10/h4-8,11-12H,3H2,1-2H3,(H,16,18)
InChIKeyGEJHUFAEWVGTKC-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.09
Rot. Bonds3

About ethyl 4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxylate

ethyl 4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 57222749) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID57222749
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1C(C)=NC(=O)NC1c1ccccc1
InChIInChI=1S/C14H16N2O3/c1-3-19-13(17)11-9(2)15-14(18)16-12(11)10-7-5-4-6-8-10/h4-8,11-12H,3H2,1-2H3,(H,16,18)
InChIKeyGEJHUFAEWVGTKC-UHFFFAOYSA-N
XLogP2.09
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxylate (CID 57222749) is ethyl 4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1C(C)=NC(=O)NC1c1ccccc1.
What is the InChIKey of ethyl 4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is GEJHUFAEWVGTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-19-13(17)11-9(2)15-14(18)16-12(11)10-7-5-4-6-8-10/h4-8,11-12H,3H2,1-2H3,(H,16,18).
What are the key properties of ethyl 4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-oxo-6-phenyl-5,6-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 57222749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).