2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one

C11H8ClIN2O3 — CID 66312316

IUPAC2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc(O)c(I)c(=O)[nH]2)cc1Cl
InChIInChI=1S/C11H8ClIN2O3/c1-18-7-3-2-5(4-6(7)12)9-14-10(16)8(13)11(17)15-9/h2-4H,1H3,(H2,14,15,16,17)
InChIKeyXEBJATAGBWJTNQ-UHFFFAOYSA-N
MW378.55 g/mol
LogP2.41
Rot. Bonds2

About 2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one

2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 66312316) has the molecular formula C11H8ClIN2O3 and a molecular weight of 378.55 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID66312316
Molecular FormulaC11H8ClIN2O3
Molecular Weight378.55 g/mol
Exact Mass377.93
IUPAC Name2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc(O)c(I)c(=O)[nH]2)cc1Cl
InChIInChI=1S/C11H8ClIN2O3/c1-18-7-3-2-5(4-6(7)12)9-14-10(16)8(13)11(17)15-9/h2-4H,1H3,(H2,14,15,16,17)
InChIKeyXEBJATAGBWJTNQ-UHFFFAOYSA-N
XLogP2.41
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(3-chloro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66312310
4-hydroxy-5-iodo-2-(4-methoxy-3-methylphenyl)-1H-pyrimidin-6-one
CID 66313095
2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 65022382
2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63611423
5-bromo-2-(3,4-dimethoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66286164
5-bromo-2-(3-fluoro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66311914
2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66311923
4-hydroxy-5-iodo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one
CID 104822795
2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63611790
5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 115926352
4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 165345881
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one
CID 135452683

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 66312316) is 2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is COc1ccc(-c2nc(O)c(I)c(=O)[nH]2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is XEBJATAGBWJTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClIN2O3/c1-18-7-3-2-5(4-6(7)12)9-14-10(16)8(13)11(17)15-9/h2-4H,1H3,(H2,14,15,16,17).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 378.55 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 66312316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).