5-acetyl-1-(2-ethylhexyl)-3-methylpyrimidine-2,4-dione

C15H24N2O3 — CID 80642859

IUPAC5-acetyl-1-(2-ethylhexyl)-3-methylpyrimidine-2,4-dione
SMILESCCCCC(CC)Cn1cc(C(C)=O)c(=O)n(C)c1=O
InChIInChI=1S/C15H24N2O3/c1-5-7-8-12(6-2)9-17-10-13(11(3)18)14(19)16(4)15(17)20/h10,12H,5-9H2,1-4H3
InChIKeyJYYFODXFRVSIIP-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.97
Rot. Bonds7

About 5-acetyl-1-(2-ethylhexyl)-3-methylpyrimidine-2,4-dione

5-acetyl-1-(2-ethylhexyl)-3-methylpyrimidine-2,4-dione (PubChem CID 80642859) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-acetyl-1-(2-ethylhexyl)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-(2-ethylhexyl)-3-methylpyrimidine-2,4-dione
PubChem CID80642859
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name5-acetyl-1-(2-ethylhexyl)-3-methylpyrimidine-2,4-dione
SMILESCCCCC(CC)Cn1cc(C(C)=O)c(=O)n(C)c1=O
InChIInChI=1S/C15H24N2O3/c1-5-7-8-12(6-2)9-17-10-13(11(3)18)14(19)16(4)15(17)20/h10,12H,5-9H2,1-4H3
InChIKeyJYYFODXFRVSIIP-UHFFFAOYSA-N
XLogP1.97
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(2-ethylhexyl)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-(2-ethylhexyl)-3-methylpyrimidine-2,4-dione (CID 80642859) is 5-acetyl-1-(2-ethylhexyl)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-(2-ethylhexyl)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-(2-ethylhexyl)-3-methylpyrimidine-2,4-dione is CCCCC(CC)Cn1cc(C(C)=O)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-1-(2-ethylhexyl)-3-methylpyrimidine-2,4-dione?
The InChIKey is JYYFODXFRVSIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-7-8-12(6-2)9-17-10-13(11(3)18)14(19)16(4)15(17)20/h10,12H,5-9H2,1-4H3.
What are the key properties of 5-acetyl-1-(2-ethylhexyl)-3-methylpyrimidine-2,4-dione?
5-acetyl-1-(2-ethylhexyl)-3-methylpyrimidine-2,4-dione has a molecular weight of 280.37 g/mol, XLogP of 1.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(2-ethylhexyl)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 80642859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).