5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one

C7H9IN2O2 — CID 79616630

IUPAC5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one
SMILESCOC(C)c1ncc(I)c(=O)[nH]1
InChIInChI=1S/C7H9IN2O2/c1-4(12-2)6-9-3-5(8)7(11)10-6/h3-4H,1-2H3,(H,9,10,11)
InChIKeyAVEFPTVPPTUHST-UHFFFAOYSA-N
MW280.06 g/mol
LogP1.08
Rot. Bonds2

About 5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one

5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one (PubChem CID 79616630) has the molecular formula C7H9IN2O2 and a molecular weight of 280.06 g/mol. Its IUPAC name is 5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one
PubChem CID79616630
Molecular FormulaC7H9IN2O2
Molecular Weight280.06 g/mol
Exact Mass279.97
IUPAC Name5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one
SMILESCOC(C)c1ncc(I)c(=O)[nH]1
InChIInChI=1S/C7H9IN2O2/c1-4(12-2)6-9-3-5(8)7(11)10-6/h3-4H,1-2H3,(H,9,10,11)
InChIKeyAVEFPTVPPTUHST-UHFFFAOYSA-N
XLogP1.08
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.06
LogP ≤ 51.08
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-2-(1-methoxyethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one (CID 79616630) is 5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one is COC(C)c1ncc(I)c(=O)[nH]1.
What is the InChIKey of 5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one?
The InChIKey is AVEFPTVPPTUHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O2/c1-4(12-2)6-9-3-5(8)7(11)10-6/h3-4H,1-2H3,(H,9,10,11).
What are the key properties of 5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one?
5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one has a molecular weight of 280.06 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79616630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).