5-acetyl-4-hydroxy-1H-pyrimidin-6-one

C6H6N2O3 — CID 587455

IUPAC5-acetyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(=O)c1c(O)nc[nH]c1=O
InChIInChI=1S/C6H6N2O3/c1-3(9)4-5(10)7-2-8-6(4)11/h2H,1H3,(H2,7,8,10,11)
InChIKeyPYJZBCIQPVBBPY-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.32
Rot. Bonds1

About 5-acetyl-4-hydroxy-1H-pyrimidin-6-one

5-acetyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 587455) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 5-acetyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-acetyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID587455
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name5-acetyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(=O)c1c(O)nc[nH]c1=O
InChIInChI=1S/C6H6N2O3/c1-3(9)4-5(10)7-2-8-6(4)11/h2H,1H3,(H2,7,8,10,11)
InChIKeyPYJZBCIQPVBBPY-UHFFFAOYSA-N
XLogP-0.32
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-acetyl-4-hydroxy-1H-pyrimidin-6-one (CID 587455) is 5-acetyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-acetyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-acetyl-4-hydroxy-1H-pyrimidin-6-one is CC(=O)c1c(O)nc[nH]c1=O.
What is the InChIKey of 5-acetyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is PYJZBCIQPVBBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c1-3(9)4-5(10)7-2-8-6(4)11/h2H,1H3,(H2,7,8,10,11).
What are the key properties of 5-acetyl-4-hydroxy-1H-pyrimidin-6-one?
5-acetyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 154.12 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 587455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).