5-acetyl-1-morpholin-4-ylpyrimidine-2,4-dione

C10H13N3O4 — CID 3369393

IUPAC5-acetyl-1-morpholin-4-ylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(N2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C10H13N3O4/c1-7(14)8-6-13(10(16)11-9(8)15)12-2-4-17-5-3-12/h6H,2-5H2,1H3,(H,11,15,16)
InChIKeyORSNLPRQHODUKO-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.29
Rot. Bonds2

About 5-acetyl-1-morpholin-4-ylpyrimidine-2,4-dione

5-acetyl-1-morpholin-4-ylpyrimidine-2,4-dione (PubChem CID 3369393) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-acetyl-1-morpholin-4-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-morpholin-4-ylpyrimidine-2,4-dione
PubChem CID3369393
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name5-acetyl-1-morpholin-4-ylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(N2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C10H13N3O4/c1-7(14)8-6-13(10(16)11-9(8)15)12-2-4-17-5-3-12/h6H,2-5H2,1H3,(H,11,15,16)
InChIKeyORSNLPRQHODUKO-UHFFFAOYSA-N
XLogP-1.29
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-morpholin-4-ylpyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-morpholin-4-ylpyrimidine-2,4-dione (CID 3369393) is 5-acetyl-1-morpholin-4-ylpyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-morpholin-4-ylpyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-morpholin-4-ylpyrimidine-2,4-dione is CC(=O)c1cn(N2CCOCC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-acetyl-1-morpholin-4-ylpyrimidine-2,4-dione?
The InChIKey is ORSNLPRQHODUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-7(14)8-6-13(10(16)11-9(8)15)12-2-4-17-5-3-12/h6H,2-5H2,1H3,(H,11,15,16).
What are the key properties of 5-acetyl-1-morpholin-4-ylpyrimidine-2,4-dione?
5-acetyl-1-morpholin-4-ylpyrimidine-2,4-dione has a molecular weight of 239.23 g/mol, XLogP of -1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-morpholin-4-ylpyrimidine-2,4-dione is sourced from PubChem (CID 3369393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).