1-methoxypyrimidine-2,4-dione

C5H6N2O3 — CID 20526168

IUPAC1-methoxypyrimidine-2,4-dione
SMILESCOn1ccc(=O)[nH]c1=O
InChIInChI=1S/C5H6N2O3/c1-10-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)
InChIKeyNCPUUEISXQMGQF-UHFFFAOYSA-N
MW142.11 g/mol
LogP-1.40
Rot. Bonds1

About 1-methoxypyrimidine-2,4-dione

1-methoxypyrimidine-2,4-dione (PubChem CID 20526168) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 1-methoxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methoxypyrimidine-2,4-dione
PubChem CID20526168
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name1-methoxypyrimidine-2,4-dione
SMILESCOn1ccc(=O)[nH]c1=O
InChIInChI=1S/C5H6N2O3/c1-10-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)
InChIKeyNCPUUEISXQMGQF-UHFFFAOYSA-N
XLogP-1.40
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypyrimidine-2,4-dione?
The IUPAC name of 1-methoxypyrimidine-2,4-dione (CID 20526168) is 1-methoxypyrimidine-2,4-dione.
What is the SMILES notation for 1-methoxypyrimidine-2,4-dione?
The canonical SMILES for 1-methoxypyrimidine-2,4-dione is COn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-methoxypyrimidine-2,4-dione?
The InChIKey is NCPUUEISXQMGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-10-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9).
What are the key properties of 1-methoxypyrimidine-2,4-dione?
1-methoxypyrimidine-2,4-dione has a molecular weight of 142.11 g/mol, XLogP of -1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypyrimidine-2,4-dione is sourced from PubChem (CID 20526168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).