methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate

C8H10BrN3O2 — CID 63872672

IUPACmethyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1ncc(Br)cn1
InChIInChI=1S/C8H10BrN3O2/c1-12(5-7(13)14-2)8-10-3-6(9)4-11-8/h3-4H,5H2,1-2H3
InChIKeyQMZVTCBKJBYMPD-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.85
Rot. Bonds3

About methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate

methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate (PubChem CID 63872672) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate
PubChem CID63872672
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Namemethyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1ncc(Br)cn1
InChIInChI=1S/C8H10BrN3O2/c1-12(5-7(13)14-2)8-10-3-6(9)4-11-8/h3-4H,5H2,1-2H3
InChIKeyQMZVTCBKJBYMPD-UHFFFAOYSA-N
XLogP0.85
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]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

2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide
CID 63873061
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
methyl 2-[(5-cyclopentylpyrimidin-2-yl)-methylamino]acetate
CID 116978026
methyl (2R)-3-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropanoate
CID 97019810
methyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate
CID 116978022
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate
CID 115355509
N'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 63872311
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 84591088
N'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 63872493
ethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate
CID 58333113
methyl 2-(2-bromo-N-methylanilino)acetate
CID 115232844
methyl 2-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]acetate
CID 79718546

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate?
The IUPAC name of methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate (CID 63872672) is methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate is COC(=O)CN(C)c1ncc(Br)cn1.
What is the InChIKey of methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate?
The InChIKey is QMZVTCBKJBYMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c1-12(5-7(13)14-2)8-10-3-6(9)4-11-8/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate?
methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate has a molecular weight of 260.09 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate is sourced from PubChem (CID 63872672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).