1H-pyrimidine-2,4-dione

C8H8N4O4 — CID 22765446

IUPAC1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/2C4H4N2O2/c2*7-3-1-2-5-4(8)6-3/h2*1-2H,(H2,5,6,7,8)
InChIKeyXDQFBMPFEBUDIC-UHFFFAOYSA-N
MW224.18 g/mol
LogP-1.87
Rot. Bonds

About 1H-pyrimidine-2,4-dione

1H-pyrimidine-2,4-dione (PubChem CID 22765446) has the molecular formula C8H8N4O4 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name1H-pyrimidine-2,4-dione
PubChem CID22765446
Molecular FormulaC8H8N4O4
Molecular Weight224.18 g/mol
Exact Mass224.05
IUPAC Name1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/2C4H4N2O2/c2*7-3-1-2-5-4(8)6-3/h2*1-2H,(H2,5,6,7,8)
InChIKeyXDQFBMPFEBUDIC-UHFFFAOYSA-N
XLogP-1.87
TPSA131.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-pyrimidine-2,4-dione?
The IUPAC name of 1H-pyrimidine-2,4-dione (CID 22765446) is 1H-pyrimidine-2,4-dione.
What is the SMILES notation for 1H-pyrimidine-2,4-dione?
The canonical SMILES for 1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 1H-pyrimidine-2,4-dione?
The InChIKey is XDQFBMPFEBUDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H4N2O2/c2*7-3-1-2-5-4(8)6-3/h2*1-2H,(H2,5,6,7,8).
What are the key properties of 1H-pyrimidine-2,4-dione?
1H-pyrimidine-2,4-dione has a molecular weight of 224.18 g/mol, XLogP of -1.87, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrimidine-2,4-dione is sourced from PubChem (CID 22765446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).