ethyl 2-(3-iodo-5-oxoimidazo[1,2-c]pyrimidin-6-yl)acetate

C10H10IN3O3 — CID 129219773

IUPACethyl 2-(3-iodo-5-oxoimidazo[1,2-c]pyrimidin-6-yl)acetate
SMILESCCOC(=O)Cn1ccc2ncc(I)n2c1=O
InChIInChI=1S/C10H10IN3O3/c1-2-17-9(15)6-13-4-3-8-12-5-7(11)14(8)10(13)16/h3-5H,2,6H2,1H3
InChIKeyGKHKTRUGIFDVRS-UHFFFAOYSA-N
MW347.11 g/mol
LogP0.66
Rot. Bonds3

About ethyl 2-(3-iodo-5-oxoimidazo[1,2-c]pyrimidin-6-yl)acetate

ethyl 2-(3-iodo-5-oxoimidazo[1,2-c]pyrimidin-6-yl)acetate (PubChem CID 129219773) has the molecular formula C10H10IN3O3 and a molecular weight of 347.11 g/mol. Its IUPAC name is ethyl 2-(3-iodo-5-oxoimidazo[1,2-c]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-iodo-5-oxoimidazo[1,2-c]pyrimidin-6-yl)acetate
PubChem CID129219773
Molecular FormulaC10H10IN3O3
Molecular Weight347.11 g/mol
Exact Mass346.98
IUPAC Nameethyl 2-(3-iodo-5-oxoimidazo[1,2-c]pyrimidin-6-yl)acetate
SMILESCCOC(=O)Cn1ccc2ncc(I)n2c1=O
InChIInChI=1S/C10H10IN3O3/c1-2-17-9(15)6-13-4-3-8-12-5-7(11)14(8)10(13)16/h3-5H,2,6H2,1H3
InChIKeyGKHKTRUGIFDVRS-UHFFFAOYSA-N
XLogP0.66
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.11
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-(3-iodo-5-oxoimidazo[1,2-c]pyrimidin-6-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetate
CID 66340203
ethyl 2-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetate
CID 86719804
ethyl 2-(4-oxo-5H-pyrrolo[2,3-d]pyridazin-1-yl)acetate
CID 165392980
ethyl 2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxopyrimidin-1-yl]acetate
CID 11794132
ethyl 2-(2-methylsulfanyl-5-oxopyrido[4,3-d]pyrimidin-6-yl)acetate
CID 20855138
ethyl 2-(3-amino-1-methyl-4-oxopyrrolo[3,2-c]pyridin-5-yl)acetate
CID 171436974
ethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate
CID 50877332
ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate
CID 68704641
ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate
CID 59588379
ethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate
CID 13480896
ethyl 3-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate
CID 599304
ethyl 2-(3-aminopyrrol-1-yl)acetate
CID 133063255

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-iodo-5-oxoimidazo[1,2-c]pyrimidin-6-yl)acetate?
The IUPAC name of ethyl 2-(3-iodo-5-oxoimidazo[1,2-c]pyrimidin-6-yl)acetate (CID 129219773) is ethyl 2-(3-iodo-5-oxoimidazo[1,2-c]pyrimidin-6-yl)acetate.
What is the SMILES notation for ethyl 2-(3-iodo-5-oxoimidazo[1,2-c]pyrimidin-6-yl)acetate?
The canonical SMILES for ethyl 2-(3-iodo-5-oxoimidazo[1,2-c]pyrimidin-6-yl)acetate is CCOC(=O)Cn1ccc2ncc(I)n2c1=O.
What is the InChIKey of ethyl 2-(3-iodo-5-oxoimidazo[1,2-c]pyrimidin-6-yl)acetate?
The InChIKey is GKHKTRUGIFDVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3O3/c1-2-17-9(15)6-13-4-3-8-12-5-7(11)14(8)10(13)16/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(3-iodo-5-oxoimidazo[1,2-c]pyrimidin-6-yl)acetate?
ethyl 2-(3-iodo-5-oxoimidazo[1,2-c]pyrimidin-6-yl)acetate has a molecular weight of 347.11 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-iodo-5-oxoimidazo[1,2-c]pyrimidin-6-yl)acetate is sourced from PubChem (CID 129219773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).