5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrimidine-2,4-dione

C7H6N4O3 — CID 137217215

IUPAC5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrimidine-2,4-dione
SMILESCc1nc(-c2c[nH]c(=O)[nH]c2=O)no1
InChIInChI=1S/C7H6N4O3/c1-3-9-5(11-14-3)4-2-8-7(13)10-6(4)12/h2H,1H3,(H2,8,10,12,13)
InChIKeyDOPZJDIHXCCCEM-UHFFFAOYSA-N
MW194.15 g/mol
LogP-0.58
Rot. Bonds1

About 5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrimidine-2,4-dione

5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrimidine-2,4-dione (PubChem CID 137217215) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrimidine-2,4-dione
PubChem CID137217215
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrimidine-2,4-dione
SMILESCc1nc(-c2c[nH]c(=O)[nH]c2=O)no1
InChIInChI=1S/C7H6N4O3/c1-3-9-5(11-14-3)4-2-8-7(13)10-6(4)12/h2H,1H3,(H2,8,10,12,13)
InChIKeyDOPZJDIHXCCCEM-UHFFFAOYSA-N
XLogP-0.58
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrimidine-2,4-dione 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-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrimidine-2,4-dione (CID 137217215) is 5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrimidine-2,4-dione is Cc1nc(-c2c[nH]c(=O)[nH]c2=O)no1.
What is the InChIKey of 5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is DOPZJDIHXCCCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c1-3-9-5(11-14-3)4-2-8-7(13)10-6(4)12/h2H,1H3,(H2,8,10,12,13).
What are the key properties of 5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrimidine-2,4-dione?
5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 194.15 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 137217215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).