5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one

C11H14N4O2 — CID 135882211

IUPAC5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCCc1noc(Cc2c(C)nc(C)[nH]c2=O)n1
InChIInChI=1S/C11H14N4O2/c1-4-9-14-10(17-15-9)5-8-6(2)12-7(3)13-11(8)16/h4-5H2,1-3H3,(H,12,13,16)
InChIKeyONNROWKUJLUPJH-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.92
Rot. Bonds3

About 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 135882211) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID135882211
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCCc1noc(Cc2c(C)nc(C)[nH]c2=O)n1
InChIInChI=1S/C11H14N4O2/c1-4-9-14-10(17-15-9)5-8-6(2)12-7(3)13-11(8)16/h4-5H2,1-3H3,(H,12,13,16)
InChIKeyONNROWKUJLUPJH-UHFFFAOYSA-N
XLogP0.92
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 135882211) is 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one is CCc1noc(Cc2c(C)nc(C)[nH]c2=O)n1.
What is the InChIKey of 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is ONNROWKUJLUPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-4-9-14-10(17-15-9)5-8-6(2)12-7(3)13-11(8)16/h4-5H2,1-3H3,(H,12,13,16).
What are the key properties of 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 234.26 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135882211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).