5-acetyl-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione

C11H12N4O4 — CID 80648497

IUPAC5-acetyl-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(Cc2nonc2C)c(=O)n(C)c1=O
InChIInChI=1S/C11H12N4O4/c1-6-9(13-19-12-6)5-15-4-8(7(2)16)10(17)14(3)11(15)18/h4H,5H2,1-3H3
InChIKeyYALYIQNIZAJYRH-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.51
Rot. Bonds3

About 5-acetyl-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione

5-acetyl-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione (PubChem CID 80648497) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 5-acetyl-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione
PubChem CID80648497
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name5-acetyl-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(Cc2nonc2C)c(=O)n(C)c1=O
InChIInChI=1S/C11H12N4O4/c1-6-9(13-19-12-6)5-15-4-8(7(2)16)10(17)14(3)11(15)18/h4H,5H2,1-3H3
InChIKeyYALYIQNIZAJYRH-UHFFFAOYSA-N
XLogP-0.51
TPSA99.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione (CID 80648497) is 5-acetyl-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione is CC(=O)c1cn(Cc2nonc2C)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is YALYIQNIZAJYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-6-9(13-19-12-6)5-15-4-8(7(2)16)10(17)14(3)11(15)18/h4H,5H2,1-3H3.
What are the key properties of 5-acetyl-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione?
5-acetyl-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 264.24 g/mol, XLogP of -0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 80648497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).