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

C4H4IN3O — CID 135787872

IUPAC4-amino-5-iodo-1H-pyrimidin-6-one
SMILESNc1nc[nH]c(=O)c1I
InChIInChI=1S/C4H4IN3O/c5-2-3(6)7-1-8-4(2)9/h1H,(H3,6,7,8,9)
InChIKeyJHZSQTCCDKICMM-UHFFFAOYSA-N
MW237.00 g/mol
LogP-0.04
Rot. Bonds

About 4-amino-5-iodo-1H-pyrimidin-6-one

4-amino-5-iodo-1H-pyrimidin-6-one (PubChem CID 135787872) has the molecular formula C4H4IN3O and a molecular weight of 237.00 g/mol. Its IUPAC name is 4-amino-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-iodo-1H-pyrimidin-6-one
PubChem CID135787872
Molecular FormulaC4H4IN3O
Molecular Weight237.00 g/mol
Exact Mass236.94
IUPAC Name4-amino-5-iodo-1H-pyrimidin-6-one
SMILESNc1nc[nH]c(=O)c1I
InChIInChI=1S/C4H4IN3O/c5-2-3(6)7-1-8-4(2)9/h1H,(H3,6,7,8,9)
InChIKeyJHZSQTCCDKICMM-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-iodo-1H-pyrimidin-6-one (CID 135787872) is 4-amino-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-iodo-1H-pyrimidin-6-one is Nc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-amino-5-iodo-1H-pyrimidin-6-one?
The InChIKey is JHZSQTCCDKICMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4IN3O/c5-2-3(6)7-1-8-4(2)9/h1H,(H3,6,7,8,9).
What are the key properties of 4-amino-5-iodo-1H-pyrimidin-6-one?
4-amino-5-iodo-1H-pyrimidin-6-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 4-amino-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 135787872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).