6-amino-1H-pyrimidin-2-one;hydroiodide

C4H6IN3O — CID 69064914

IUPAC6-amino-1H-pyrimidin-2-one;hydroiodide
SMILESI.Nc1ccnc(=O)[nH]1
InChIInChI=1S/C4H5N3O.HI/c5-3-1-2-6-4(8)7-3;/h1-2H,(H3,5,6,7,8);1H
InChIKeyJIKZEOPEPAILJJ-UHFFFAOYSA-N
MW239.02 g/mol
LogP-0.03
Rot. Bonds

About 6-amino-1H-pyrimidin-2-one;hydroiodide

6-amino-1H-pyrimidin-2-one;hydroiodide (PubChem CID 69064914) has the molecular formula C4H6IN3O and a molecular weight of 239.02 g/mol. Its IUPAC name is 6-amino-1H-pyrimidin-2-one;hydroiodide.

Molecular Properties

Compound Name6-amino-1H-pyrimidin-2-one;hydroiodide
PubChem CID69064914
Molecular FormulaC4H6IN3O
Molecular Weight239.02 g/mol
Exact Mass238.96
IUPAC Name6-amino-1H-pyrimidin-2-one;hydroiodide
SMILESI.Nc1ccnc(=O)[nH]1
InChIInChI=1S/C4H5N3O.HI/c5-3-1-2-6-4(8)7-3;/h1-2H,(H3,5,6,7,8);1H
InChIKeyJIKZEOPEPAILJJ-UHFFFAOYSA-N
XLogP-0.03
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.02
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-1H-pyrimidin-2-one;hydroiodide 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 6-amino-1H-pyrimidin-2-one;hydroiodide?
The IUPAC name of 6-amino-1H-pyrimidin-2-one;hydroiodide (CID 69064914) is 6-amino-1H-pyrimidin-2-one;hydroiodide.
What is the SMILES notation for 6-amino-1H-pyrimidin-2-one;hydroiodide?
The canonical SMILES for 6-amino-1H-pyrimidin-2-one;hydroiodide is I.Nc1ccnc(=O)[nH]1.
What is the InChIKey of 6-amino-1H-pyrimidin-2-one;hydroiodide?
The InChIKey is JIKZEOPEPAILJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O.HI/c5-3-1-2-6-4(8)7-3;/h1-2H,(H3,5,6,7,8);1H.
What are the key properties of 6-amino-1H-pyrimidin-2-one;hydroiodide?
6-amino-1H-pyrimidin-2-one;hydroiodide has a molecular weight of 239.02 g/mol, XLogP of -0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1H-pyrimidin-2-one;hydroiodide is sourced from PubChem (CID 69064914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).