5-iodo-2-methoxy-4-methyl-1H-pyrimidin-6-one

C6H7IN2O2 — CID 135461937

IUPAC5-iodo-2-methoxy-4-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(C)c(I)c(=O)[nH]1
InChIInChI=1S/C6H7IN2O2/c1-3-4(7)5(10)9-6(8-3)11-2/h1-2H3,(H,8,9,10)
InChIKeyFPZLDIGSZPGXAF-UHFFFAOYSA-N
MW266.04 g/mol
LogP0.69
Rot. Bonds1

About 5-iodo-2-methoxy-4-methyl-1H-pyrimidin-6-one

5-iodo-2-methoxy-4-methyl-1H-pyrimidin-6-one (PubChem CID 135461937) has the molecular formula C6H7IN2O2 and a molecular weight of 266.04 g/mol. Its IUPAC name is 5-iodo-2-methoxy-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-methoxy-4-methyl-1H-pyrimidin-6-one
PubChem CID135461937
Molecular FormulaC6H7IN2O2
Molecular Weight266.04 g/mol
Exact Mass265.96
IUPAC Name5-iodo-2-methoxy-4-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(C)c(I)c(=O)[nH]1
InChIInChI=1S/C6H7IN2O2/c1-3-4(7)5(10)9-6(8-3)11-2/h1-2H3,(H,8,9,10)
InChIKeyFPZLDIGSZPGXAF-UHFFFAOYSA-N
XLogP0.69
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-5-iodo-6-methyl-4-pyrimidinol
CID 135480614
5-Fluoro-2-methoxy-6-methylpyrimidin-4(1H)-one
CID 135490606
2-ethoxy-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 146641829

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-methoxy-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-methoxy-4-methyl-1H-pyrimidin-6-one (CID 135461937) is 5-iodo-2-methoxy-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-methoxy-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-methoxy-4-methyl-1H-pyrimidin-6-one is COc1nc(C)c(I)c(=O)[nH]1.
What is the InChIKey of 5-iodo-2-methoxy-4-methyl-1H-pyrimidin-6-one?
The InChIKey is FPZLDIGSZPGXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O2/c1-3-4(7)5(10)9-6(8-3)11-2/h1-2H3,(H,8,9,10).
What are the key properties of 5-iodo-2-methoxy-4-methyl-1H-pyrimidin-6-one?
5-iodo-2-methoxy-4-methyl-1H-pyrimidin-6-one has a molecular weight of 266.04 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methoxy-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135461937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).