acetic acid;1H-pyrimidine-2,4-dione

C8H12N2O6 — CID 23088892

IUPACacetic acid;1H-pyrimidine-2,4-dione
SMILESCC(=O)O.CC(=O)O.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C4H4N2O2.2C2H4O2/c7-3-1-2-5-4(8)6-3;2*1-2(3)4/h1-2H,(H2,5,6,7,8);2*1H3,(H,3,4)
InChIKeyWPQPAQCECMVNAY-UHFFFAOYSA-N
MW232.19 g/mol
LogP-0.75
Rot. Bonds

About acetic acid;1H-pyrimidine-2,4-dione

acetic acid;1H-pyrimidine-2,4-dione (PubChem CID 23088892) has the molecular formula C8H12N2O6 and a molecular weight of 232.19 g/mol. Its IUPAC name is acetic acid;1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Nameacetic acid;1H-pyrimidine-2,4-dione
PubChem CID23088892
Molecular FormulaC8H12N2O6
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Nameacetic acid;1H-pyrimidine-2,4-dione
SMILESCC(=O)O.CC(=O)O.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C4H4N2O2.2C2H4O2/c7-3-1-2-5-4(8)6-3;2*1-2(3)4/h1-2H,(H2,5,6,7,8);2*1H3,(H,3,4)
InChIKeyWPQPAQCECMVNAY-UHFFFAOYSA-N
XLogP-0.75
TPSA140.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1H-pyrimidine-2,4-dione?
The IUPAC name of acetic acid;1H-pyrimidine-2,4-dione (CID 23088892) is acetic acid;1H-pyrimidine-2,4-dione.
What is the SMILES notation for acetic acid;1H-pyrimidine-2,4-dione?
The canonical SMILES for acetic acid;1H-pyrimidine-2,4-dione is CC(=O)O.CC(=O)O.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of acetic acid;1H-pyrimidine-2,4-dione?
The InChIKey is WPQPAQCECMVNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.2C2H4O2/c7-3-1-2-5-4(8)6-3;2*1-2(3)4/h1-2H,(H2,5,6,7,8);2*1H3,(H,3,4).
What are the key properties of acetic acid;1H-pyrimidine-2,4-dione?
acetic acid;1H-pyrimidine-2,4-dione has a molecular weight of 232.19 g/mol, XLogP of -0.75, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23088892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).