ethyl 2-(4-amino-5-iodo-2-oxopyrimidin-1-yl)acetate

C8H10IN3O3 — CID 118404507

IUPACethyl 2-(4-amino-5-iodo-2-oxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1cc(I)c(N)nc1=O
InChIInChI=1S/C8H10IN3O3/c1-2-15-6(13)4-12-3-5(9)7(10)11-8(12)14/h3H,2,4H2,1H3,(H2,10,11,14)
InChIKeyFYKAWBZDAUKUMW-UHFFFAOYSA-N
MW323.09 g/mol
LogP-0.01
Rot. Bonds3

About ethyl 2-(4-amino-5-iodo-2-oxopyrimidin-1-yl)acetate

ethyl 2-(4-amino-5-iodo-2-oxopyrimidin-1-yl)acetate (PubChem CID 118404507) has the molecular formula C8H10IN3O3 and a molecular weight of 323.09 g/mol. Its IUPAC name is ethyl 2-(4-amino-5-iodo-2-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-5-iodo-2-oxopyrimidin-1-yl)acetate
PubChem CID118404507
Molecular FormulaC8H10IN3O3
Molecular Weight323.09 g/mol
Exact Mass322.98
IUPAC Nameethyl 2-(4-amino-5-iodo-2-oxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1cc(I)c(N)nc1=O
InChIInChI=1S/C8H10IN3O3/c1-2-15-6(13)4-12-3-5(9)7(10)11-8(12)14/h3H,2,4H2,1H3,(H2,10,11,14)
InChIKeyFYKAWBZDAUKUMW-UHFFFAOYSA-N
XLogP-0.01
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.09
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-5-iodo-2-oxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-amino-5-iodo-2-oxopyrimidin-1-yl)acetate (CID 118404507) is ethyl 2-(4-amino-5-iodo-2-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-amino-5-iodo-2-oxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-amino-5-iodo-2-oxopyrimidin-1-yl)acetate is CCOC(=O)Cn1cc(I)c(N)nc1=O.
What is the InChIKey of ethyl 2-(4-amino-5-iodo-2-oxopyrimidin-1-yl)acetate?
The InChIKey is FYKAWBZDAUKUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O3/c1-2-15-6(13)4-12-3-5(9)7(10)11-8(12)14/h3H,2,4H2,1H3,(H2,10,11,14).
What are the key properties of ethyl 2-(4-amino-5-iodo-2-oxopyrimidin-1-yl)acetate?
ethyl 2-(4-amino-5-iodo-2-oxopyrimidin-1-yl)acetate has a molecular weight of 323.09 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-5-iodo-2-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 118404507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).