5-iodo-3-(methoxymethyl)-2-methylpyrimidin-4-one

C7H9IN2O2 — CID 66342487

IUPAC5-iodo-3-(methoxymethyl)-2-methylpyrimidin-4-one
SMILESCOCn1c(C)ncc(I)c1=O
InChIInChI=1S/C7H9IN2O2/c1-5-9-3-6(8)7(11)10(5)4-12-2/h3H,4H2,1-2H3
InChIKeyQGJHJCFPSQQHMZ-UHFFFAOYSA-N
MW280.06 g/mol
LogP0.76
Rot. Bonds2

About 5-iodo-3-(methoxymethyl)-2-methylpyrimidin-4-one

5-iodo-3-(methoxymethyl)-2-methylpyrimidin-4-one (PubChem CID 66342487) has the molecular formula C7H9IN2O2 and a molecular weight of 280.06 g/mol. Its IUPAC name is 5-iodo-3-(methoxymethyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-(methoxymethyl)-2-methylpyrimidin-4-one
PubChem CID66342487
Molecular FormulaC7H9IN2O2
Molecular Weight280.06 g/mol
Exact Mass279.97
IUPAC Name5-iodo-3-(methoxymethyl)-2-methylpyrimidin-4-one
SMILESCOCn1c(C)ncc(I)c1=O
InChIInChI=1S/C7H9IN2O2/c1-5-9-3-6(8)7(11)10(5)4-12-2/h3H,4H2,1-2H3
InChIKeyQGJHJCFPSQQHMZ-UHFFFAOYSA-N
XLogP0.76
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.06
LogP ≤ 50.76
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-3-(methoxymethyl)-2-methylpyrimidin-4-one?
The IUPAC name of 5-iodo-3-(methoxymethyl)-2-methylpyrimidin-4-one (CID 66342487) is 5-iodo-3-(methoxymethyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-(methoxymethyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 5-iodo-3-(methoxymethyl)-2-methylpyrimidin-4-one is COCn1c(C)ncc(I)c1=O.
What is the InChIKey of 5-iodo-3-(methoxymethyl)-2-methylpyrimidin-4-one?
The InChIKey is QGJHJCFPSQQHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O2/c1-5-9-3-6(8)7(11)10(5)4-12-2/h3H,4H2,1-2H3.
What are the key properties of 5-iodo-3-(methoxymethyl)-2-methylpyrimidin-4-one?
5-iodo-3-(methoxymethyl)-2-methylpyrimidin-4-one has a molecular weight of 280.06 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(methoxymethyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 66342487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).