3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide

C12H10IN3O4 — CID 103568127

IUPAC3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide
SMILESCOc1cc(Oc2nc[nH]c(=O)c2I)cc(C(N)=O)c1
InChIInChI=1S/C12H10IN3O4/c1-19-7-2-6(10(14)17)3-8(4-7)20-12-9(13)11(18)15-5-16-12/h2-5H,1H3,(H2,14,17)(H,15,16,18)
InChIKeyYLCVBVBYSZXCJN-UHFFFAOYSA-N
MW387.13 g/mol
LogP1.27
Rot. Bonds4

About 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide

3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide (PubChem CID 103568127) has the molecular formula C12H10IN3O4 and a molecular weight of 387.13 g/mol. Its IUPAC name is 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide.

Molecular Properties

Compound Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide
PubChem CID103568127
Molecular FormulaC12H10IN3O4
Molecular Weight387.13 g/mol
Exact Mass386.97
IUPAC Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide
SMILESCOc1cc(Oc2nc[nH]c(=O)c2I)cc(C(N)=O)c1
InChIInChI=1S/C12H10IN3O4/c1-19-7-2-6(10(14)17)3-8(4-7)20-12-9(13)11(18)15-5-16-12/h2-5H,1H3,(H2,14,17)(H,15,16,18)
InChIKeyYLCVBVBYSZXCJN-UHFFFAOYSA-N
XLogP1.27
TPSA107.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.13
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide
CID 103568121
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide
CID 114676141
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585606
3-[(3-amino-4-methyl-2-pyridinyl)oxy]-5-methoxybenzamide
CID 103566450
3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide
CID 103568126
4-(3-amino-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114252553
3-[(3-amino-6-methoxy-2-pyridinyl)oxy]-5-methoxybenzamide
CID 103566452
5-(3-carbamoyl-5-methoxyphenoxy)pyridine-2-carboxylic acid
CID 103566619
4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114574406
5-iodo-4-(2-methoxy-4-methylphenoxy)-1H-pyrimidin-6-one
CID 114676066
3-[(3-amino-6-chloro-2-pyridinyl)oxy]-5-methoxybenzamide
CID 103566441
5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one
CID 114676042

Frequently Asked Questions

What is the IUPAC name of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide?
The IUPAC name of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide (CID 103568127) is 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide.
What is the SMILES notation for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide?
The canonical SMILES for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide is COc1cc(Oc2nc[nH]c(=O)c2I)cc(C(N)=O)c1.
What is the InChIKey of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide?
The InChIKey is YLCVBVBYSZXCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10IN3O4/c1-19-7-2-6(10(14)17)3-8(4-7)20-12-9(13)11(18)15-5-16-12/h2-5H,1H3,(H2,14,17)(H,15,16,18).
What are the key properties of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide?
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide has a molecular weight of 387.13 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]-5-methoxybenzamide is sourced from PubChem (CID 103568127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).