ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate

C10H14N2O3 — CID 7063845

IUPACethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C10H14N2O3/c1-4-15-9(13)5-8-6(2)11-10(14)12-7(8)3/h4-5H2,1-3H3,(H,11,12,14)
InChIKeyLBLLLBAXHRWWGV-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.49
Rot. Bonds3

About ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate

ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate (PubChem CID 7063845) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate
PubChem CID7063845
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C10H14N2O3/c1-4-15-9(13)5-8-6(2)11-10(14)12-7(8)3/h4-5H2,1-3H3,(H,11,12,14)
InChIKeyLBLLLBAXHRWWGV-UHFFFAOYSA-N
XLogP0.49
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-2-one
CID 60692369
4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-2-one
CID 60692290
methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoate
CID 60693490
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79381298
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114476
methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methylbutanoate
CID 43408263
3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]butanoic acid
CID 62820344
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 107866602
4,6-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-2-one
CID 60675896
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 43500431
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]butanoic acid
CID 43469506
5-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 102784992

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate?
The IUPAC name of ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate (CID 7063845) is ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate is CCOC(=O)Cc1c(C)nc(=O)[nH]c1C.
What is the InChIKey of ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate?
The InChIKey is LBLLLBAXHRWWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-4-15-9(13)5-8-6(2)11-10(14)12-7(8)3/h4-5H2,1-3H3,(H,11,12,14).
What are the key properties of ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate?
ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate has a molecular weight of 210.23 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate is sourced from PubChem (CID 7063845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).