ethyl 2-pyrimidin-5-ylacetate

C8H10N2O2 — CID 21471619

IUPACethyl 2-pyrimidin-5-ylacetate
SMILESCCOC(=O)Cc1cncnc1
InChIInChI=1S/C8H10N2O2/c1-2-12-8(11)3-7-4-9-6-10-5-7/h4-6H,2-3H2,1H3
InChIKeyJYFYKRSTLSLCFM-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.58
Rot. Bonds3

About ethyl 2-pyrimidin-5-ylacetate

ethyl 2-pyrimidin-5-ylacetate (PubChem CID 21471619) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is ethyl 2-pyrimidin-5-ylacetate.

Molecular Properties

Compound Nameethyl 2-pyrimidin-5-ylacetate
PubChem CID21471619
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Nameethyl 2-pyrimidin-5-ylacetate
SMILESCCOC(=O)Cc1cncnc1
InChIInChI=1S/C8H10N2O2/c1-2-12-8(11)3-7-4-9-6-10-5-7/h4-6H,2-3H2,1H3
InChIKeyJYFYKRSTLSLCFM-UHFFFAOYSA-N
XLogP0.58
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-pyrimidin-5-ylacetate?
The IUPAC name of ethyl 2-pyrimidin-5-ylacetate (CID 21471619) is ethyl 2-pyrimidin-5-ylacetate.
What is the SMILES notation for ethyl 2-pyrimidin-5-ylacetate?
The canonical SMILES for ethyl 2-pyrimidin-5-ylacetate is CCOC(=O)Cc1cncnc1.
What is the InChIKey of ethyl 2-pyrimidin-5-ylacetate?
The InChIKey is JYFYKRSTLSLCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-2-12-8(11)3-7-4-9-6-10-5-7/h4-6H,2-3H2,1H3.
What are the key properties of ethyl 2-pyrimidin-5-ylacetate?
ethyl 2-pyrimidin-5-ylacetate has a molecular weight of 166.18 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyrimidin-5-ylacetate is sourced from PubChem (CID 21471619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).