5-iodo-1-methylpyrimidine-2,4-dione

C5H5IN2O2 — CID 619776

IUPAC5-iodo-1-methylpyrimidine-2,4-dione
SMILESCn1cc(I)c(=O)[nH]c1=O
InChIInChI=1S/C5H5IN2O2/c1-8-2-3(6)4(9)7-5(8)10/h2H,1H3,(H,7,9,10)
InChIKeyVQCQTJWSCCBUFL-UHFFFAOYSA-N
MW252.01 g/mol
LogP-0.32
Rot. Bonds

About 5-iodo-1-methylpyrimidine-2,4-dione

5-iodo-1-methylpyrimidine-2,4-dione (PubChem CID 619776) has the molecular formula C5H5IN2O2 and a molecular weight of 252.01 g/mol. Its IUPAC name is 5-iodo-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-iodo-1-methylpyrimidine-2,4-dione
PubChem CID619776
Molecular FormulaC5H5IN2O2
Molecular Weight252.01 g/mol
Exact Mass251.94
IUPAC Name5-iodo-1-methylpyrimidine-2,4-dione
SMILESCn1cc(I)c(=O)[nH]c1=O
InChIInChI=1S/C5H5IN2O2/c1-8-2-3(6)4(9)7-5(8)10/h2H,1H3,(H,7,9,10)
InChIKeyVQCQTJWSCCBUFL-UHFFFAOYSA-N
XLogP-0.32
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.01
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylpyrimidine-2,4-dione?
The IUPAC name of 5-iodo-1-methylpyrimidine-2,4-dione (CID 619776) is 5-iodo-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-iodo-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-iodo-1-methylpyrimidine-2,4-dione is Cn1cc(I)c(=O)[nH]c1=O.
What is the InChIKey of 5-iodo-1-methylpyrimidine-2,4-dione?
The InChIKey is VQCQTJWSCCBUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5IN2O2/c1-8-2-3(6)4(9)7-5(8)10/h2H,1H3,(H,7,9,10).
What are the key properties of 5-iodo-1-methylpyrimidine-2,4-dione?
5-iodo-1-methylpyrimidine-2,4-dione has a molecular weight of 252.01 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 619776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).