methyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate

C8H9IN2O3 — CID 66342694

IUPACmethyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate
SMILESCOC(=O)Cn1c(C)ncc(I)c1=O
InChIInChI=1S/C8H9IN2O3/c1-5-10-3-6(9)8(13)11(5)4-7(12)14-2/h3H,4H2,1-2H3
InChIKeyFWJJNVWMCPQJKO-UHFFFAOYSA-N
MW308.08 g/mol
LogP0.33
Rot. Bonds2

About methyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate

methyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate (PubChem CID 66342694) has the molecular formula C8H9IN2O3 and a molecular weight of 308.08 g/mol. Its IUPAC name is methyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate
PubChem CID66342694
Molecular FormulaC8H9IN2O3
Molecular Weight308.08 g/mol
Exact Mass307.97
IUPAC Namemethyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate
SMILESCOC(=O)Cn1c(C)ncc(I)c1=O
InChIInChI=1S/C8H9IN2O3/c1-5-10-3-6(9)8(13)11(5)4-7(12)14-2/h3H,4H2,1-2H3
InChIKeyFWJJNVWMCPQJKO-UHFFFAOYSA-N
XLogP0.33
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.08
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Iodo-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 66342935
Ethyl 2-fluoro-2-(5-iodo-6-oxopyrimidin-1-yl)acetate
CID 81298420
2-Fluoro-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetic acid
CID 81298526
Ethyl 2-fluoro-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate
CID 81298658
Methyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate
CID 66308371
Ethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate
CID 66309217
Methyl 2-(5-iodo-6-oxopyrimidin-1-yl)acetate
CID 66309268
Propan-2-yl 2-(5-iodo-6-oxopyrimidin-1-yl)acetate
CID 66309694
Ethyl 2-(5-iodo-6-oxopyrimidin-1-yl)acetate
CID 66310111
Butyl 2-(5-iodo-6-oxopyrimidin-1-yl)acetate
CID 66310759
Methyl 5-iodo-6-oxo-1,6-dihydropyrimidine-2-carboxylate
CID 66314718
Tert-butyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanoate
CID 66336831

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate?
The IUPAC name of methyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate (CID 66342694) is methyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate?
The canonical SMILES for methyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate is COC(=O)Cn1c(C)ncc(I)c1=O.
What is the InChIKey of methyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate?
The InChIKey is FWJJNVWMCPQJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O3/c1-5-10-3-6(9)8(13)11(5)4-7(12)14-2/h3H,4H2,1-2H3.
What are the key properties of methyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate?
methyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate has a molecular weight of 308.08 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 66342694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).