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

C4H4IN3O2 — CID 151302331

IUPAC6-amino-5-iodosyl-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1I=O
InChIInChI=1S/C4H4IN3O2/c6-3-2(5-10)1-7-4(9)8-3/h1H,(H3,6,7,8,9)
InChIKeyOCRMDAZZOVJKHE-UHFFFAOYSA-N
MW253.00 g/mol
LogP-0.16
Rot. Bonds1

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

6-amino-5-iodosyl-1H-pyrimidin-2-one (PubChem CID 151302331) has the molecular formula C4H4IN3O2 and a molecular weight of 253.00 g/mol. Its IUPAC name is 6-amino-5-iodosyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-iodosyl-1H-pyrimidin-2-one
PubChem CID151302331
Molecular FormulaC4H4IN3O2
Molecular Weight253.00 g/mol
Exact Mass252.93
IUPAC Name6-amino-5-iodosyl-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1I=O
InChIInChI=1S/C4H4IN3O2/c6-3-2(5-10)1-7-4(9)8-3/h1H,(H3,6,7,8,9)
InChIKeyOCRMDAZZOVJKHE-UHFFFAOYSA-N
XLogP-0.16
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.00
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-iodosyl-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-iodosyl-1H-pyrimidin-2-one (CID 151302331) is 6-amino-5-iodosyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-iodosyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-iodosyl-1H-pyrimidin-2-one is Nc1[nH]c(=O)ncc1I=O.
What is the InChIKey of 6-amino-5-iodosyl-1H-pyrimidin-2-one?
The InChIKey is OCRMDAZZOVJKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4IN3O2/c6-3-2(5-10)1-7-4(9)8-3/h1H,(H3,6,7,8,9).
What are the key properties of 6-amino-5-iodosyl-1H-pyrimidin-2-one?
6-amino-5-iodosyl-1H-pyrimidin-2-one has a molecular weight of 253.00 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-iodosyl-1H-pyrimidin-2-one is sourced from PubChem (CID 151302331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).