5,6-dideuterio-5H-pyrimidine-2,4-dione

C4H4N2O2 — CID 175794787

IUPAC5,6-dideuterio-5H-pyrimidine-2,4-dione
SMILES[2H]C1=NC(=O)NC(=O)C1[2H]
InChIInChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h2H,1H2,(H,6,7,8)/i1D,2D
InChIKeySGLPRIIINMCHCW-QDNHWIQGSA-N
MW114.10 g/mol
LogP-0.30
Rot. Bonds

About 5,6-dideuterio-5H-pyrimidine-2,4-dione

5,6-dideuterio-5H-pyrimidine-2,4-dione (PubChem CID 175794787) has the molecular formula C4H4N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 5,6-dideuterio-5H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-dideuterio-5H-pyrimidine-2,4-dione
PubChem CID175794787
Molecular FormulaC4H4N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name5,6-dideuterio-5H-pyrimidine-2,4-dione
SMILES[2H]C1=NC(=O)NC(=O)C1[2H]
InChIInChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h2H,1H2,(H,6,7,8)/i1D,2D
InChIKeySGLPRIIINMCHCW-QDNHWIQGSA-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 ≤ 500114.10
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 5,6-dideuterio-5H-pyrimidine-2,4-dione?
The IUPAC name of 5,6-dideuterio-5H-pyrimidine-2,4-dione (CID 175794787) is 5,6-dideuterio-5H-pyrimidine-2,4-dione.
What is the SMILES notation for 5,6-dideuterio-5H-pyrimidine-2,4-dione?
The canonical SMILES for 5,6-dideuterio-5H-pyrimidine-2,4-dione is [2H]C1=NC(=O)NC(=O)C1[2H].
What is the InChIKey of 5,6-dideuterio-5H-pyrimidine-2,4-dione?
The InChIKey is SGLPRIIINMCHCW-QDNHWIQGSA-N. The full InChI is InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h2H,1H2,(H,6,7,8)/i1D,2D.
What are the key properties of 5,6-dideuterio-5H-pyrimidine-2,4-dione?
5,6-dideuterio-5H-pyrimidine-2,4-dione has a molecular weight of 114.10 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 5,6-dideuterio-5H-pyrimidine-2,4-dione is sourced from PubChem (CID 175794787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).