2-(4-iodopyrazol-1-yl)pyrimidin-4-amine

C7H6IN5 — CID 116798086

IUPAC2-(4-iodopyrazol-1-yl)pyrimidin-4-amine
SMILESNc1ccnc(-n2cc(I)cn2)n1
InChIInChI=1S/C7H6IN5/c8-5-3-11-13(4-5)7-10-2-1-6(9)12-7/h1-4H,(H2,9,10,12)
InChIKeyXFGMLXIFDQGQEZ-UHFFFAOYSA-N
MW287.06 g/mol
LogP0.85
Rot. Bonds1

About 2-(4-iodopyrazol-1-yl)pyrimidin-4-amine

2-(4-iodopyrazol-1-yl)pyrimidin-4-amine (PubChem CID 116798086) has the molecular formula C7H6IN5 and a molecular weight of 287.06 g/mol. Its IUPAC name is 2-(4-iodopyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-iodopyrazol-1-yl)pyrimidin-4-amine
PubChem CID116798086
Molecular FormulaC7H6IN5
Molecular Weight287.06 g/mol
Exact Mass286.97
IUPAC Name2-(4-iodopyrazol-1-yl)pyrimidin-4-amine
SMILESNc1ccnc(-n2cc(I)cn2)n1
InChIInChI=1S/C7H6IN5/c8-5-3-11-13(4-5)7-10-2-1-6(9)12-7/h1-4H,(H2,9,10,12)
InChIKeyXFGMLXIFDQGQEZ-UHFFFAOYSA-N
XLogP0.85
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.06
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-iodopyrazol-1-yl)pyrimidin-4-amine 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 2-(4-iodopyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-(4-iodopyrazol-1-yl)pyrimidin-4-amine (CID 116798086) is 2-(4-iodopyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-iodopyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-iodopyrazol-1-yl)pyrimidin-4-amine is Nc1ccnc(-n2cc(I)cn2)n1.
What is the InChIKey of 2-(4-iodopyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is XFGMLXIFDQGQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6IN5/c8-5-3-11-13(4-5)7-10-2-1-6(9)12-7/h1-4H,(H2,9,10,12).
What are the key properties of 2-(4-iodopyrazol-1-yl)pyrimidin-4-amine?
2-(4-iodopyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 287.06 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodopyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 116798086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).