ethyl 2-[4-[2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)ethoxy]phenyl]acetate

C16H18N2O5 — CID 71246395

IUPACethyl 2-[4-[2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)ethoxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OCCc2c(O)nc[nH]c2=O)cc1
InChIInChI=1S/C16H18N2O5/c1-2-22-14(19)9-11-3-5-12(6-4-11)23-8-7-13-15(20)17-10-18-16(13)21/h3-6,10H,2,7-9H2,1H3,(H2,17,18,20,21)
InChIKeyXXOIHYMGZBGLJB-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.20
Rot. Bonds7

About ethyl 2-[4-[2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)ethoxy]phenyl]acetate

ethyl 2-[4-[2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)ethoxy]phenyl]acetate (PubChem CID 71246395) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is ethyl 2-[4-[2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)ethoxy]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)ethoxy]phenyl]acetate
PubChem CID71246395
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Nameethyl 2-[4-[2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)ethoxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OCCc2c(O)nc[nH]c2=O)cc1
InChIInChI=1S/C16H18N2O5/c1-2-22-14(19)9-11-3-5-12(6-4-11)23-8-7-13-15(20)17-10-18-16(13)21/h3-6,10H,2,7-9H2,1H3,(H2,17,18,20,21)
InChIKeyXXOIHYMGZBGLJB-UHFFFAOYSA-N
XLogP1.20
TPSA101.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)ethoxy]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)ethoxy]phenyl]acetate (CID 71246395) is ethyl 2-[4-[2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)ethoxy]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)ethoxy]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)ethoxy]phenyl]acetate is CCOC(=O)Cc1ccc(OCCc2c(O)nc[nH]c2=O)cc1.
What is the InChIKey of ethyl 2-[4-[2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)ethoxy]phenyl]acetate?
The InChIKey is XXOIHYMGZBGLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-2-22-14(19)9-11-3-5-12(6-4-11)23-8-7-13-15(20)17-10-18-16(13)21/h3-6,10H,2,7-9H2,1H3,(H2,17,18,20,21).
What are the key properties of ethyl 2-[4-[2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)ethoxy]phenyl]acetate?
ethyl 2-[4-[2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)ethoxy]phenyl]acetate has a molecular weight of 318.33 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)ethoxy]phenyl]acetate is sourced from PubChem (CID 71246395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).