6-(iodoamino)-1H-pyrimidin-2-one

C4H4IN3O — CID 54071651

IUPAC6-(iodoamino)-1H-pyrimidin-2-one
SMILESO=c1nccc(NI)[nH]1
InChIInChI=1S/C4H4IN3O/c5-8-3-1-2-6-4(9)7-3/h1-2H,(H2,6,7,8,9)
InChIKeyMGWCKYMRSQFKHG-UHFFFAOYSA-N
MW237.00 g/mol
LogP0.53
Rot. Bonds1

About 6-(iodoamino)-1H-pyrimidin-2-one

6-(iodoamino)-1H-pyrimidin-2-one (PubChem CID 54071651) has the molecular formula C4H4IN3O and a molecular weight of 237.00 g/mol. Its IUPAC name is 6-(iodoamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(iodoamino)-1H-pyrimidin-2-one
PubChem CID54071651
Molecular FormulaC4H4IN3O
Molecular Weight237.00 g/mol
Exact Mass236.94
IUPAC Name6-(iodoamino)-1H-pyrimidin-2-one
SMILESO=c1nccc(NI)[nH]1
InChIInChI=1S/C4H4IN3O/c5-8-3-1-2-6-4(9)7-3/h1-2H,(H2,6,7,8,9)
InChIKeyMGWCKYMRSQFKHG-UHFFFAOYSA-N
XLogP0.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.00
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(iodoamino)-1H-pyrimidin-2-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 6-(iodoamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(iodoamino)-1H-pyrimidin-2-one (CID 54071651) is 6-(iodoamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(iodoamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(iodoamino)-1H-pyrimidin-2-one is O=c1nccc(NI)[nH]1.
What is the InChIKey of 6-(iodoamino)-1H-pyrimidin-2-one?
The InChIKey is MGWCKYMRSQFKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4IN3O/c5-8-3-1-2-6-4(9)7-3/h1-2H,(H2,6,7,8,9).
What are the key properties of 6-(iodoamino)-1H-pyrimidin-2-one?
6-(iodoamino)-1H-pyrimidin-2-one has a molecular weight of 237.00 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(iodoamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 54071651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).