methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate

C7H8BrN3O3 — CID 136955987

IUPACmethyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C7H8BrN3O3/c1-14-4(12)2-9-6-5(8)7(13)11-3-10-6/h3H,2H2,1H3,(H2,9,10,11,13)
InChIKeyLIYFZNRXHPVOKC-UHFFFAOYSA-N
MW262.06 g/mol
LogP0.12
Rot. Bonds3

About methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate

methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate (PubChem CID 136955987) has the molecular formula C7H8BrN3O3 and a molecular weight of 262.06 g/mol. Its IUPAC name is methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate
PubChem CID136955987
Molecular FormulaC7H8BrN3O3
Molecular Weight262.06 g/mol
Exact Mass260.97
IUPAC Namemethyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C7H8BrN3O3/c1-14-4(12)2-9-6-5(8)7(13)11-3-10-6/h3H,2H2,1H3,(H2,9,10,11,13)
InChIKeyLIYFZNRXHPVOKC-UHFFFAOYSA-N
XLogP0.12
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.06
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate (CID 136955987) is methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate is COC(=O)CNc1nc[nH]c(=O)c1Br.
What is the InChIKey of methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The InChIKey is LIYFZNRXHPVOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O3/c1-14-4(12)2-9-6-5(8)7(13)11-3-10-6/h3H,2H2,1H3,(H2,9,10,11,13).
What are the key properties of methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate has a molecular weight of 262.06 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 136955987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).