5-acetyl-6-hydroxy-1H-pyrimidine-2,4-dione

C6H6N2O4 — CID 1391800

IUPAC5-acetyl-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H6N2O4/c1-2(9)3-4(10)7-6(12)8-5(3)11/h1H3,(H3,7,8,10,11,12)
InChIKeyYLOWAZAFHURGIN-UHFFFAOYSA-N
MW170.12 g/mol
LogP-1.03
Rot. Bonds1

About 5-acetyl-6-hydroxy-1H-pyrimidine-2,4-dione

5-acetyl-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 1391800) has the molecular formula C6H6N2O4 and a molecular weight of 170.12 g/mol. Its IUPAC name is 5-acetyl-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID1391800
Molecular FormulaC6H6N2O4
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name5-acetyl-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H6N2O4/c1-2(9)3-4(10)7-6(12)8-5(3)11/h1H3,(H3,7,8,10,11,12)
InChIKeyYLOWAZAFHURGIN-UHFFFAOYSA-N
XLogP-1.03
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-6-hydroxy-1H-pyrimidine-2,4-dione (CID 1391800) is 5-acetyl-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-6-hydroxy-1H-pyrimidine-2,4-dione is CC(=O)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-acetyl-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is YLOWAZAFHURGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4/c1-2(9)3-4(10)7-6(12)8-5(3)11/h1H3,(H3,7,8,10,11,12).
What are the key properties of 5-acetyl-6-hydroxy-1H-pyrimidine-2,4-dione?
5-acetyl-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 170.12 g/mol, XLogP of -1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 1391800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).