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

C9H9IN4O3 — CID 84594788

IUPAC5-iodo-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCc1nc(Cn2c(=O)c(I)cn(C)c2=O)no1
InChIInChI=1S/C9H9IN4O3/c1-5-11-7(12-17-5)4-14-8(15)6(10)3-13(2)9(14)16/h3H,4H2,1-2H3
InChIKeyDIDNNACWKUFFDF-UHFFFAOYSA-N
MW348.10 g/mol
LogP-0.11
Rot. Bonds2

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

5-iodo-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione (PubChem CID 84594788) has the molecular formula C9H9IN4O3 and a molecular weight of 348.10 g/mol. Its IUPAC name is 5-iodo-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-iodo-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione
PubChem CID84594788
Molecular FormulaC9H9IN4O3
Molecular Weight348.10 g/mol
Exact Mass347.97
IUPAC Name5-iodo-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCc1nc(Cn2c(=O)c(I)cn(C)c2=O)no1
InChIInChI=1S/C9H9IN4O3/c1-5-11-7(12-17-5)4-14-8(15)6(10)3-13(2)9(14)16/h3H,4H2,1-2H3
InChIKeyDIDNNACWKUFFDF-UHFFFAOYSA-N
XLogP-0.11
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.10
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-iodo-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]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-iodo-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-iodo-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione (CID 84594788) is 5-iodo-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-iodo-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-iodo-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione is Cc1nc(Cn2c(=O)c(I)cn(C)c2=O)no1.
What is the InChIKey of 5-iodo-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is DIDNNACWKUFFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN4O3/c1-5-11-7(12-17-5)4-14-8(15)6(10)3-13(2)9(14)16/h3H,4H2,1-2H3.
What are the key properties of 5-iodo-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione?
5-iodo-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 348.10 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 84594788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).