diethyl 5-methyl-6-oxo-1H-pyrimidine-2,4-dicarboxylate

C11H14N2O5 — CID 137153698

IUPACdiethyl 5-methyl-6-oxo-1H-pyrimidine-2,4-dicarboxylate
SMILESCCOC(=O)c1nc(C(=O)OCC)c(C)c(=O)[nH]1
InChIInChI=1S/C11H14N2O5/c1-4-17-10(15)7-6(3)9(14)13-8(12-7)11(16)18-5-2/h4-5H2,1-3H3,(H,12,13,14)
InChIKeyVUJGJDXOIPEGFP-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.43
Rot. Bonds4

About diethyl 5-methyl-6-oxo-1H-pyrimidine-2,4-dicarboxylate

diethyl 5-methyl-6-oxo-1H-pyrimidine-2,4-dicarboxylate (PubChem CID 137153698) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is diethyl 5-methyl-6-oxo-1H-pyrimidine-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-methyl-6-oxo-1H-pyrimidine-2,4-dicarboxylate
PubChem CID137153698
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Namediethyl 5-methyl-6-oxo-1H-pyrimidine-2,4-dicarboxylate
SMILESCCOC(=O)c1nc(C(=O)OCC)c(C)c(=O)[nH]1
InChIInChI=1S/C11H14N2O5/c1-4-17-10(15)7-6(3)9(14)13-8(12-7)11(16)18-5-2/h4-5H2,1-3H3,(H,12,13,14)
InChIKeyVUJGJDXOIPEGFP-UHFFFAOYSA-N
XLogP0.43
TPSA98.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Pyrimidinecarboxylic acid,6-dihydro-5-methyl-6-oxo-, ethyl ester
CID 135468184
2,5-Dimethyl-6-oxo-1,6-dihydro-pyrimidine-4-carboxylic acid ethyl ester
CID 135453694
ethyl 2-(diethoxymethyl)-5-methyl-6-oxo-1H-pyrimidine-4-carboxylate
CID 137286198
6-(ethoxymethyl)-2-(hydroxymethyl)-5-methyl-1H-pyrimidin-4-one
CID 135441719
ethyl 5-methyl-6-oxo-2-(tribromomethyl)-1H-pyrimidine-4-carboxylate
CID 135428258
ethyl 2-butyl-5-methyl-6-oxo-1H-pyrimidine-4-carboxylate
CID 136065553
4-(ethoxymethyl)-5-methyl-6-oxo-1H-pyrimidine-2-carboxylic acid
CID 136201157
methyl 2,5-dimethyl-6-oxo-1H-pyrimidine-4-carboxylate
CID 136205598
2-Ethyl 4-Methyl 5,6-Dihydroxypyrimidine-2,4-dicarboxylate
CID 136415041
ethyl 2-methoxy-5-methyl-6-oxo-1H-pyrimidine-4-carboxylate
CID 136452783
Ethyl 2-cyclopropyl-5-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate
CID 136475300
4-O-ethyl 2-O-methyl 5-hydroxy-6-oxo-1H-pyrimidine-2,4-dicarboxylate
CID 136655027

Frequently Asked Questions

What is the IUPAC name of diethyl 5-methyl-6-oxo-1H-pyrimidine-2,4-dicarboxylate?
The IUPAC name of diethyl 5-methyl-6-oxo-1H-pyrimidine-2,4-dicarboxylate (CID 137153698) is diethyl 5-methyl-6-oxo-1H-pyrimidine-2,4-dicarboxylate.
What is the SMILES notation for diethyl 5-methyl-6-oxo-1H-pyrimidine-2,4-dicarboxylate?
The canonical SMILES for diethyl 5-methyl-6-oxo-1H-pyrimidine-2,4-dicarboxylate is CCOC(=O)c1nc(C(=O)OCC)c(C)c(=O)[nH]1.
What is the InChIKey of diethyl 5-methyl-6-oxo-1H-pyrimidine-2,4-dicarboxylate?
The InChIKey is VUJGJDXOIPEGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-4-17-10(15)7-6(3)9(14)13-8(12-7)11(16)18-5-2/h4-5H2,1-3H3,(H,12,13,14).
What are the key properties of diethyl 5-methyl-6-oxo-1H-pyrimidine-2,4-dicarboxylate?
diethyl 5-methyl-6-oxo-1H-pyrimidine-2,4-dicarboxylate has a molecular weight of 254.24 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-methyl-6-oxo-1H-pyrimidine-2,4-dicarboxylate is sourced from PubChem (CID 137153698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).