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

C8H10N2O3 — CID 11105982

IUPAC[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate
SMILESCC(=O)O[C@H](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)/t5-/m1/s1
InChIKeyDZMRSJDXNPKLBA-RXMQYKEDSA-N
MW182.18 g/mol
LogP0.39
Rot. Bonds2

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

[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate (PubChem CID 11105982) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is [(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate
PubChem CID11105982
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate
SMILESCC(=O)O[C@H](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)/t5-/m1/s1
InChIKeyDZMRSJDXNPKLBA-RXMQYKEDSA-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

Analyze [(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate?
The IUPAC name of [(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate (CID 11105982) is [(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate.
What is the SMILES notation for [(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate?
The canonical SMILES for [(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate is CC(=O)O[C@H](C)c1nccc(=O)[nH]1.
What is the InChIKey of [(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate?
The InChIKey is DZMRSJDXNPKLBA-RXMQYKEDSA-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)/t5-/m1/s1.
What are the key properties of [(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate?
[(1R)-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 [(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate is sourced from PubChem (CID 11105982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).