5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one

C10H8IN3O2 — CID 103347871

IUPAC5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
SMILESCOc1cccc(-c2ncc(I)c(=O)[nH]2)n1
InChIInChI=1S/C10H8IN3O2/c1-16-8-4-2-3-7(13-8)9-12-5-6(11)10(15)14-9/h2-5H,1H3,(H,12,14,15)
InChIKeyAEDVBOLAQIRNNR-UHFFFAOYSA-N
MW329.10 g/mol
LogP1.45
Rot. Bonds2

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

5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 103347871) has the molecular formula C10H8IN3O2 and a molecular weight of 329.10 g/mol. Its IUPAC name is 5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
PubChem CID103347871
Molecular FormulaC10H8IN3O2
Molecular Weight329.10 g/mol
Exact Mass328.97
IUPAC Name5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
SMILESCOc1cccc(-c2ncc(I)c(=O)[nH]2)n1
InChIInChI=1S/C10H8IN3O2/c1-16-8-4-2-3-7(13-8)9-12-5-6(11)10(15)14-9/h2-5H,1H3,(H,12,14,15)
InChIKeyAEDVBOLAQIRNNR-UHFFFAOYSA-N
XLogP1.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.10
LogP ≤ 51.45
H-Bond Donors ≤ 51
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-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one (CID 103347871) is 5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one is COc1cccc(-c2ncc(I)c(=O)[nH]2)n1.
What is the InChIKey of 5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is AEDVBOLAQIRNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN3O2/c1-16-8-4-2-3-7(13-8)9-12-5-6(11)10(15)14-9/h2-5H,1H3,(H,12,14,15).
What are the key properties of 5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one?
5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 329.10 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 103347871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).