5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one

C11H13IN4O2 — CID 136980141

IUPAC5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCOc1c(-c2nc(C)c(I)c(=O)[nH]2)c(C)nn1C
InChIInChI=1S/C11H13IN4O2/c1-5-7(11(18-4)16(3)15-5)9-13-6(2)8(12)10(17)14-9/h1-4H3,(H,13,14,17)
InChIKeyLHARUJGJPQZHGF-UHFFFAOYSA-N
MW360.16 g/mol
LogP1.40
Rot. Bonds2

About 5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one

5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136980141) has the molecular formula C11H13IN4O2 and a molecular weight of 360.16 g/mol. Its IUPAC name is 5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136980141
Molecular FormulaC11H13IN4O2
Molecular Weight360.16 g/mol
Exact Mass360.01
IUPAC Name5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCOc1c(-c2nc(C)c(I)c(=O)[nH]2)c(C)nn1C
InChIInChI=1S/C11H13IN4O2/c1-5-7(11(18-4)16(3)15-5)9-13-6(2)8(12)10(17)14-9/h1-4H3,(H,13,14,17)
InChIKeyLHARUJGJPQZHGF-UHFFFAOYSA-N
XLogP1.40
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.16
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-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

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one (CID 136980141) is 5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one is COc1c(-c2nc(C)c(I)c(=O)[nH]2)c(C)nn1C.
What is the InChIKey of 5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is LHARUJGJPQZHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN4O2/c1-5-7(11(18-4)16(3)15-5)9-13-6(2)8(12)10(17)14-9/h1-4H3,(H,13,14,17).
What are the key properties of 5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one?
5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 360.16 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136980141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).