6-amino-5-iodo-1H-pyrimidin-2-one

C4H4IN3O — CID 14281

IUPAC6-amino-5-iodo-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1I
InChIInChI=1S/C4H4IN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
InChIKeyUFVWJVAMULFOMC-UHFFFAOYSA-N
MW237.00 g/mol
LogP-0.04
Rot. Bonds

About 6-amino-5-iodo-1H-pyrimidin-2-one

6-amino-5-iodo-1H-pyrimidin-2-one (PubChem CID 14281) has the molecular formula C4H4IN3O and a molecular weight of 237.00 g/mol. Its IUPAC name is 6-amino-5-iodo-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-iodo-1H-pyrimidin-2-one
PubChem CID14281
Molecular FormulaC4H4IN3O
Molecular Weight237.00 g/mol
Exact Mass236.94
IUPAC Name6-amino-5-iodo-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1I
InChIInChI=1S/C4H4IN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
InChIKeyUFVWJVAMULFOMC-UHFFFAOYSA-N
XLogP-0.04
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.00
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Flucytosine
CID 3366
5-Chlorocytosine
CID 3083758
Iodopyrimidinone
CID 18970330
Cytosine hydriodide
CID 69064914
5-fluoro-6-(methylideneamino)-1H-pyrimidin-2-one
CID 163778239
CID 139054566
CID 139054566
6-amino-5-fluoro-1H-pyrimidin-3-ium-2-one
CID 7164714
6-amino-5-(18F)fluoro-1H-pyrimidin-2-one
CID 10396858
6-amino-5-fluoro-1H-pyrimidin-2-one;hydrofluoride
CID 20445386
6-amino-5-fluoro-1H-pyrimidin-2-one;hydrochloride
CID 21691941
6-(iodoamino)-1H-pyrimidin-2-one
CID 54071651
6-(ethylideneamino)-5-iodo-1H-pyrimidin-2-one
CID 54110025

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-iodo-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-iodo-1H-pyrimidin-2-one (CID 14281) is 6-amino-5-iodo-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-iodo-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-iodo-1H-pyrimidin-2-one is Nc1[nH]c(=O)ncc1I.
What is the InChIKey of 6-amino-5-iodo-1H-pyrimidin-2-one?
The InChIKey is UFVWJVAMULFOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4IN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9).
What are the key properties of 6-amino-5-iodo-1H-pyrimidin-2-one?
6-amino-5-iodo-1H-pyrimidin-2-one has a molecular weight of 237.00 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-iodo-1H-pyrimidin-2-one is sourced from PubChem (CID 14281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).