5-iodo-1,3,6-trimethylpyrimidine-2,4-dione

C7H9IN2O2 — CID 10923939

IUPAC5-iodo-1,3,6-trimethylpyrimidine-2,4-dione
SMILESCc1c(I)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C7H9IN2O2/c1-4-5(8)6(11)10(3)7(12)9(4)2/h1-3H3
InChIKeyOGGRCIQVWZBFPS-UHFFFAOYSA-N
MW280.06 g/mol
LogP-0.00
Rot. Bonds

About 5-iodo-1,3,6-trimethylpyrimidine-2,4-dione

5-iodo-1,3,6-trimethylpyrimidine-2,4-dione (PubChem CID 10923939) has the molecular formula C7H9IN2O2 and a molecular weight of 280.06 g/mol. Its IUPAC name is 5-iodo-1,3,6-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-iodo-1,3,6-trimethylpyrimidine-2,4-dione
PubChem CID10923939
Molecular FormulaC7H9IN2O2
Molecular Weight280.06 g/mol
Exact Mass279.97
IUPAC Name5-iodo-1,3,6-trimethylpyrimidine-2,4-dione
SMILESCc1c(I)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C7H9IN2O2/c1-4-5(8)6(11)10(3)7(12)9(4)2/h1-3H3
InChIKeyOGGRCIQVWZBFPS-UHFFFAOYSA-N
XLogP-0.00
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.06
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1,3,6-trimethylpyrimidine-2,4-dione?
The IUPAC name of 5-iodo-1,3,6-trimethylpyrimidine-2,4-dione (CID 10923939) is 5-iodo-1,3,6-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-iodo-1,3,6-trimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-iodo-1,3,6-trimethylpyrimidine-2,4-dione is Cc1c(I)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 5-iodo-1,3,6-trimethylpyrimidine-2,4-dione?
The InChIKey is OGGRCIQVWZBFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O2/c1-4-5(8)6(11)10(3)7(12)9(4)2/h1-3H3.
What are the key properties of 5-iodo-1,3,6-trimethylpyrimidine-2,4-dione?
5-iodo-1,3,6-trimethylpyrimidine-2,4-dione has a molecular weight of 280.06 g/mol, XLogP of -0.00, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1,3,6-trimethylpyrimidine-2,4-dione is sourced from PubChem (CID 10923939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).