6-amino-3-iodo-1H-pyrimidine-2,4-dione

C4H4IN3O2 — CID 70940936

IUPAC6-amino-3-iodo-1H-pyrimidine-2,4-dione
SMILESNc1cc(=O)n(I)c(=O)[nH]1
InChIInChI=1S/C4H4IN3O2/c5-8-3(9)1-2(6)7-4(8)10/h1H,6H2,(H,7,10)
InChIKeyHJYBWXAXBBBZNZ-UHFFFAOYSA-N
MW253.00 g/mol
LogP-0.68
Rot. Bonds

About 6-amino-3-iodo-1H-pyrimidine-2,4-dione

6-amino-3-iodo-1H-pyrimidine-2,4-dione (PubChem CID 70940936) has the molecular formula C4H4IN3O2 and a molecular weight of 253.00 g/mol. Its IUPAC name is 6-amino-3-iodo-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-iodo-1H-pyrimidine-2,4-dione
PubChem CID70940936
Molecular FormulaC4H4IN3O2
Molecular Weight253.00 g/mol
Exact Mass252.93
IUPAC Name6-amino-3-iodo-1H-pyrimidine-2,4-dione
SMILESNc1cc(=O)n(I)c(=O)[nH]1
InChIInChI=1S/C4H4IN3O2/c5-8-3(9)1-2(6)7-4(8)10/h1H,6H2,(H,7,10)
InChIKeyHJYBWXAXBBBZNZ-UHFFFAOYSA-N
XLogP-0.68
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.00
LogP ≤ 5-0.68
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-3-iodo-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-iodo-1H-pyrimidine-2,4-dione (CID 70940936) is 6-amino-3-iodo-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-iodo-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-iodo-1H-pyrimidine-2,4-dione is Nc1cc(=O)n(I)c(=O)[nH]1.
What is the InChIKey of 6-amino-3-iodo-1H-pyrimidine-2,4-dione?
The InChIKey is HJYBWXAXBBBZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4IN3O2/c5-8-3(9)1-2(6)7-4(8)10/h1H,6H2,(H,7,10).
What are the key properties of 6-amino-3-iodo-1H-pyrimidine-2,4-dione?
6-amino-3-iodo-1H-pyrimidine-2,4-dione has a molecular weight of 253.00 g/mol, XLogP of -0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-iodo-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70940936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).