(6-oxo-1H-pyrimidin-4-yl) acetate

C6H6N2O3 — CID 174627299

IUPAC(6-oxo-1H-pyrimidin-4-yl) acetate
SMILESCC(=O)Oc1cc(=O)[nH]cn1
InChIInChI=1S/C6H6N2O3/c1-4(9)11-6-2-5(10)7-3-8-6/h2-3H,1H3,(H,7,8,10)
InChIKeyWWIXQYLAGKMILY-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.30
Rot. Bonds1

About (6-oxo-1H-pyrimidin-4-yl) acetate

(6-oxo-1H-pyrimidin-4-yl) acetate (PubChem CID 174627299) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is (6-oxo-1H-pyrimidin-4-yl) acetate.

Molecular Properties

Compound Name(6-oxo-1H-pyrimidin-4-yl) acetate
PubChem CID174627299
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name(6-oxo-1H-pyrimidin-4-yl) acetate
SMILESCC(=O)Oc1cc(=O)[nH]cn1
InChIInChI=1S/C6H6N2O3/c1-4(9)11-6-2-5(10)7-3-8-6/h2-3H,1H3,(H,7,8,10)
InChIKeyWWIXQYLAGKMILY-UHFFFAOYSA-N
XLogP-0.30
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-oxo-1H-pyrimidin-4-yl) acetate?
The IUPAC name of (6-oxo-1H-pyrimidin-4-yl) acetate (CID 174627299) is (6-oxo-1H-pyrimidin-4-yl) acetate.
What is the SMILES notation for (6-oxo-1H-pyrimidin-4-yl) acetate?
The canonical SMILES for (6-oxo-1H-pyrimidin-4-yl) acetate is CC(=O)Oc1cc(=O)[nH]cn1.
What is the InChIKey of (6-oxo-1H-pyrimidin-4-yl) acetate?
The InChIKey is WWIXQYLAGKMILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c1-4(9)11-6-2-5(10)7-3-8-6/h2-3H,1H3,(H,7,8,10).
What are the key properties of (6-oxo-1H-pyrimidin-4-yl) acetate?
(6-oxo-1H-pyrimidin-4-yl) acetate has a molecular weight of 154.12 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-1H-pyrimidin-4-yl) acetate is sourced from PubChem (CID 174627299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).