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

C8H9BrN2O3 — CID 66308371

IUPACmethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate
SMILESCOC(=O)Cn1c(C)ncc(Br)c1=O
InChIInChI=1S/C8H9BrN2O3/c1-5-10-3-6(9)8(13)11(5)4-7(12)14-2/h3H,4H2,1-2H3
InChIKeyDNDYPUQDQMYTBT-UHFFFAOYSA-N
MW261.07 g/mol
LogP0.49
Rot. Bonds2

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

methyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate (PubChem CID 66308371) has the molecular formula C8H9BrN2O3 and a molecular weight of 261.07 g/mol. Its IUPAC name is methyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate
PubChem CID66308371
Molecular FormulaC8H9BrN2O3
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Namemethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate
SMILESCOC(=O)Cn1c(C)ncc(Br)c1=O
InChIInChI=1S/C8H9BrN2O3/c1-5-10-3-6(9)8(13)11(5)4-7(12)14-2/h3H,4H2,1-2H3
InChIKeyDNDYPUQDQMYTBT-UHFFFAOYSA-N
XLogP0.49
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Bromo-2-methyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 66310723
methyl 5-bromo-6-oxo-1H-pyrimidine-2-carboxylate
CID 66314706
Ethyl 2-(5-bromo-6-oxopyrimidin-1-yl)-2-fluoroacetate
CID 81298030
2-(5-Bromo-2-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetic acid
CID 81298162
Ethyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetate
CID 81298303
Ethyl 2-(5-bromo-6-oxopyrimidin-1-yl)acetate
CID 66309540
Tert-butyl 2-[5-bromo-2-(methoxymethyl)-6-oxopyrimidin-1-yl]acetate
CID 170790331
Butyl 2-(5-bromo-2-chloro-6-oxopyrimidin-1-yl)acetate
CID 175993535
Butyl 2-[5-bromo-2-(methoxymethyl)-6-oxopyrimidin-1-yl]acetate
CID 175993624
Tert-butyl 2-(5-bromo-2-chloro-6-oxopyrimidin-1-yl)acetate
CID 176891329
5-Bromo-3-(2-methoxyethyl)-2-methylpyrimidin-4-one
CID 66308181
5-Bromo-3-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-one
CID 66308379

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate?
The IUPAC name of methyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate (CID 66308371) is methyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate?
The canonical SMILES for methyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate is COC(=O)Cn1c(C)ncc(Br)c1=O.
What is the InChIKey of methyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate?
The InChIKey is DNDYPUQDQMYTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O3/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-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate?
methyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate has a molecular weight of 261.07 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 66308371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).