5H-pyrimidine-2,4-dione

C4H4N2O2 — CID 15646795

IUPAC5H-pyrimidine-2,4-dione
SMILESO=C1CC=NC(=O)N1
InChIInChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h2H,1H2,(H,6,7,8)
InChIKeySGLPRIIINMCHCW-UHFFFAOYSA-N
MW112.09 g/mol
LogP-0.30
Rot. Bonds

About 5H-pyrimidine-2,4-dione

5H-pyrimidine-2,4-dione (PubChem CID 15646795) has the molecular formula C4H4N2O2 and a molecular weight of 112.09 g/mol. Its IUPAC name is 5H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5H-pyrimidine-2,4-dione
PubChem CID15646795
Molecular FormulaC4H4N2O2
Molecular Weight112.09 g/mol
Exact Mass112.03
IUPAC Name5H-pyrimidine-2,4-dione
SMILESO=C1CC=NC(=O)N1
InChIInChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h2H,1H2,(H,6,7,8)
InChIKeySGLPRIIINMCHCW-UHFFFAOYSA-N
XLogP-0.30
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5H-pyrimidine-2,4-dione?
The IUPAC name of 5H-pyrimidine-2,4-dione (CID 15646795) is 5H-pyrimidine-2,4-dione.
What is the SMILES notation for 5H-pyrimidine-2,4-dione?
The canonical SMILES for 5H-pyrimidine-2,4-dione is O=C1CC=NC(=O)N1.
What is the InChIKey of 5H-pyrimidine-2,4-dione?
The InChIKey is SGLPRIIINMCHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h2H,1H2,(H,6,7,8).
What are the key properties of 5H-pyrimidine-2,4-dione?
5H-pyrimidine-2,4-dione has a molecular weight of 112.09 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrimidine-2,4-dione is sourced from PubChem (CID 15646795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).