2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one

C12H11IN2O3 — CID 66311923

IUPAC2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCOc1ccc(-c2nc(O)c(I)c(=O)[nH]2)cc1
InChIInChI=1S/C12H11IN2O3/c1-2-18-8-5-3-7(4-6-8)10-14-11(16)9(13)12(17)15-10/h3-6H,2H2,1H3,(H2,14,15,16,17)
InChIKeyAZGLOWCNWCNZPQ-UHFFFAOYSA-N
MW358.14 g/mol
LogP2.15
Rot. Bonds3

About 2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one

2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 66311923) has the molecular formula C12H11IN2O3 and a molecular weight of 358.14 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID66311923
Molecular FormulaC12H11IN2O3
Molecular Weight358.14 g/mol
Exact Mass357.98
IUPAC Name2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCOc1ccc(-c2nc(O)c(I)c(=O)[nH]2)cc1
InChIInChI=1S/C12H11IN2O3/c1-2-18-8-5-3-7(4-6-8)10-14-11(16)9(13)12(17)15-10/h3-6H,2H2,1H3,(H2,14,15,16,17)
InChIKeyAZGLOWCNWCNZPQ-UHFFFAOYSA-N
XLogP2.15
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.14
LogP ≤ 52.15
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

4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one
CID 46734906
4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 165345881
4-hydroxy-5-iodo-2-(4-methoxy-3-methylphenyl)-1H-pyrimidin-6-one
CID 66313095
1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone
CID 82085429
2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66312316
2-(4-ethoxyphenyl)-1H-pyrimidin-6-one
CID 43654617
[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 82289204
2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63611424
5-(4-ethoxyphenyl)-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2(7),5-trien-3-one
CID 1015949
2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63030910
4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 66285358
4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one
CID 136691860

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 66311923) is 2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is CCOc1ccc(-c2nc(O)c(I)c(=O)[nH]2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is AZGLOWCNWCNZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O3/c1-2-18-8-5-3-7(4-6-8)10-14-11(16)9(13)12(17)15-10/h3-6H,2H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 358.14 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 66311923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).