6-deuterio-1H-pyrimidine-2,4-dione

C4H4N2O2 — CID 102601786

IUPAC6-deuterio-1H-pyrimidine-2,4-dione
SMILES[2H]c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)/i2D
InChIKeyISAKRJDGNUQOIC-VMNATFBRSA-N
MW113.09 g/mol
LogP-0.94
Rot. Bonds

About 6-deuterio-1H-pyrimidine-2,4-dione

6-deuterio-1H-pyrimidine-2,4-dione (PubChem CID 102601786) has the molecular formula C4H4N2O2 and a molecular weight of 113.09 g/mol. Its IUPAC name is 6-deuterio-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-deuterio-1H-pyrimidine-2,4-dione
PubChem CID102601786
Molecular FormulaC4H4N2O2
Molecular Weight113.09 g/mol
Exact Mass113.03
IUPAC Name6-deuterio-1H-pyrimidine-2,4-dione
SMILES[2H]c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)/i2D
InChIKeyISAKRJDGNUQOIC-VMNATFBRSA-N
XLogP-0.94
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.09
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-deuterio-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-deuterio-1H-pyrimidine-2,4-dione (CID 102601786) is 6-deuterio-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-deuterio-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-deuterio-1H-pyrimidine-2,4-dione is [2H]c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-deuterio-1H-pyrimidine-2,4-dione?
The InChIKey is ISAKRJDGNUQOIC-VMNATFBRSA-N. The full InChI is InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)/i2D.
What are the key properties of 6-deuterio-1H-pyrimidine-2,4-dione?
6-deuterio-1H-pyrimidine-2,4-dione has a molecular weight of 113.09 g/mol, XLogP of -0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-deuterio-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 102601786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).