ethyl 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetate

C11H16N2O3 — CID 171997456

IUPACethyl 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1cnc(C(C)C)cc1=O
InChIInChI=1S/C11H16N2O3/c1-4-16-11(15)6-13-7-12-9(8(2)3)5-10(13)14/h5,7-8H,4,6H2,1-3H3
InChIKeyWFDSITAITMMVEA-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.93
Rot. Bonds4

About ethyl 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetate

ethyl 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetate (PubChem CID 171997456) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetate
PubChem CID171997456
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1cnc(C(C)C)cc1=O
InChIInChI=1S/C11H16N2O3/c1-4-16-11(15)6-13-7-12-9(8(2)3)5-10(13)14/h5,7-8H,4,6H2,1-3H3
InChIKeyWFDSITAITMMVEA-UHFFFAOYSA-N
XLogP0.93
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetate (CID 171997456) is ethyl 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetate is CCOC(=O)Cn1cnc(C(C)C)cc1=O.
What is the InChIKey of ethyl 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetate?
The InChIKey is WFDSITAITMMVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-16-11(15)6-13-7-12-9(8(2)3)5-10(13)14/h5,7-8H,4,6H2,1-3H3.
What are the key properties of ethyl 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetate?
ethyl 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetate has a molecular weight of 224.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetate is sourced from PubChem (CID 171997456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).