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

C8H10N2O3 — CID 22328641

IUPAC1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate
SMILESCC(=O)OC(C)c1nccc(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-5(13-6(2)11)8-9-4-3-7(12)10-8/h3-5H,1-2H3,(H,9,10,12)
InChIKeyDZMRSJDXNPKLBA-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.39
Rot. Bonds2

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

1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate (PubChem CID 22328641) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate.

Molecular Properties

Compound Name1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate
PubChem CID22328641
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate
SMILESCC(=O)OC(C)c1nccc(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-5(13-6(2)11)8-9-4-3-7(12)10-8/h3-5H,1-2H3,(H,9,10,12)
InChIKeyDZMRSJDXNPKLBA-UHFFFAOYSA-N
XLogP0.39
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate?
The IUPAC name of 1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate (CID 22328641) is 1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate.
What is the SMILES notation for 1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate?
The canonical SMILES for 1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate is CC(=O)OC(C)c1nccc(=O)[nH]1.
What is the InChIKey of 1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate?
The InChIKey is DZMRSJDXNPKLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5(13-6(2)11)8-9-4-3-7(12)10-8/h3-5H,1-2H3,(H,9,10,12).
What are the key properties of 1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate?
1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate has a molecular weight of 182.18 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate is sourced from PubChem (CID 22328641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).