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

C12H14N4O4 — CID 80501507

IUPAC5-acetyl-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrimidine-2,4-dione
SMILESCCc1nc(Cn2cc(C(C)=O)c(=O)n(C)c2=O)no1
InChIInChI=1S/C12H14N4O4/c1-4-10-13-9(14-20-10)6-16-5-8(7(2)17)11(18)15(3)12(16)19/h5H,4,6H2,1-3H3
InChIKeyPABAPFJMAPWCEK-UHFFFAOYSA-N
MW278.27 g/mol
LogP-0.26
Rot. Bonds4

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

5-acetyl-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrimidine-2,4-dione (PubChem CID 80501507) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 5-acetyl-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrimidine-2,4-dione
PubChem CID80501507
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name5-acetyl-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrimidine-2,4-dione
SMILESCCc1nc(Cn2cc(C(C)=O)c(=O)n(C)c2=O)no1
InChIInChI=1S/C12H14N4O4/c1-4-10-13-9(14-20-10)6-16-5-8(7(2)17)11(18)15(3)12(16)19/h5H,4,6H2,1-3H3
InChIKeyPABAPFJMAPWCEK-UHFFFAOYSA-N
XLogP-0.26
TPSA99.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrimidine-2,4-dione (CID 80501507) is 5-acetyl-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrimidine-2,4-dione is CCc1nc(Cn2cc(C(C)=O)c(=O)n(C)c2=O)no1.
What is the InChIKey of 5-acetyl-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is PABAPFJMAPWCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-4-10-13-9(14-20-10)6-16-5-8(7(2)17)11(18)15(3)12(16)19/h5H,4,6H2,1-3H3.
What are the key properties of 5-acetyl-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrimidine-2,4-dione?
5-acetyl-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 278.27 g/mol, XLogP of -0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 80501507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).