ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate

C9H12N2O3 — CID 137058865

IUPACethyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate
SMILESCCOC(=O)Cc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C9H12N2O3/c1-3-14-9(13)5-7-10-6(2)4-8(12)11-7/h4H,3,5H2,1-2H3,(H,10,11,12)
InChIKeyPDSKJGJSLFBORE-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.18
Rot. Bonds3

About ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate

ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate (PubChem CID 137058865) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate
PubChem CID137058865
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Nameethyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate
SMILESCCOC(=O)Cc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C9H12N2O3/c1-3-14-9(13)5-7-10-6(2)4-8(12)11-7/h4H,3,5H2,1-2H3,(H,10,11,12)
InChIKeyPDSKJGJSLFBORE-UHFFFAOYSA-N
XLogP0.18
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate?
The IUPAC name of ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate (CID 137058865) is ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate is CCOC(=O)Cc1nc(C)cc(=O)[nH]1.
What is the InChIKey of ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate?
The InChIKey is PDSKJGJSLFBORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-14-9(13)5-7-10-6(2)4-8(12)11-7/h4H,3,5H2,1-2H3,(H,10,11,12).
What are the key properties of ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate?
ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate has a molecular weight of 196.21 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetate is sourced from PubChem (CID 137058865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).