4-hydroxy-5-iodo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one

C10H8IN3O2 — CID 104822795

IUPAC4-hydroxy-5-iodo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2nc(O)c(I)c(=O)[nH]2)cn1
InChIInChI=1S/C10H8IN3O2/c1-5-2-3-6(4-12-5)8-13-9(15)7(11)10(16)14-8/h2-4H,1H3,(H2,13,14,15,16)
InChIKeyKJJQPIVCNLEDQX-UHFFFAOYSA-N
MW329.10 g/mol
LogP1.45
Rot. Bonds1

About 4-hydroxy-5-iodo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one

4-hydroxy-5-iodo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 104822795) has the molecular formula C10H8IN3O2 and a molecular weight of 329.10 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one
PubChem CID104822795
Molecular FormulaC10H8IN3O2
Molecular Weight329.10 g/mol
Exact Mass328.97
IUPAC Name4-hydroxy-5-iodo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2nc(O)c(I)c(=O)[nH]2)cn1
InChIInChI=1S/C10H8IN3O2/c1-5-2-3-6(4-12-5)8-13-9(15)7(11)10(16)14-8/h2-4H,1H3,(H2,13,14,15,16)
InChIKeyKJJQPIVCNLEDQX-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.10
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-(6-methyl-3-pyridinyl)-4-phenyl-1H-pyrimidin-6-one
CID 136775644
2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66311923
4-hydroxy-5-iodo-2-(4-methoxy-3-methylphenyl)-1H-pyrimidin-6-one
CID 66313095
4-hydroxy-5-iodo-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 66285779
5-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one
CID 104822808
2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66312316
4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 66285358
4-hydroxy-5-iodo-2-quinolin-8-yl-1H-pyrimidin-6-one
CID 66314256
2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63611424
2-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 107124632
3-ethyl-8-(6-methyl-3-pyridinyl)-7H-purine-2,6-dione
CID 115925584
4-hydroxy-5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one
CID 66287184

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-iodo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one (CID 104822795) is 4-hydroxy-5-iodo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one is Cc1ccc(-c2nc(O)c(I)c(=O)[nH]2)cn1.
What is the InChIKey of 4-hydroxy-5-iodo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is KJJQPIVCNLEDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN3O2/c1-5-2-3-6(4-12-5)8-13-9(15)7(11)10(16)14-8/h2-4H,1H3,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-5-iodo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 329.10 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-iodo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 104822795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).