methyl 2-[(2-amino-6-bromopyrimidin-4-yl)amino]acetate

C7H9BrN4O2 — CID 131213825

IUPACmethyl 2-[(2-amino-6-bromopyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1cc(Br)nc(N)n1
InChIInChI=1S/C7H9BrN4O2/c1-14-6(13)3-10-5-2-4(8)11-7(9)12-5/h2H,3H2,1H3,(H3,9,10,11,12)
InChIKeyHUEBIMBADGRMGE-UHFFFAOYSA-N
MW261.08 g/mol
LogP0.41
Rot. Bonds3

About methyl 2-[(2-amino-6-bromopyrimidin-4-yl)amino]acetate

methyl 2-[(2-amino-6-bromopyrimidin-4-yl)amino]acetate (PubChem CID 131213825) has the molecular formula C7H9BrN4O2 and a molecular weight of 261.08 g/mol. Its IUPAC name is methyl 2-[(2-amino-6-bromopyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-6-bromopyrimidin-4-yl)amino]acetate
PubChem CID131213825
Molecular FormulaC7H9BrN4O2
Molecular Weight261.08 g/mol
Exact Mass259.99
IUPAC Namemethyl 2-[(2-amino-6-bromopyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1cc(Br)nc(N)n1
InChIInChI=1S/C7H9BrN4O2/c1-14-6(13)3-10-5-2-4(8)11-7(9)12-5/h2H,3H2,1H3,(H3,9,10,11,12)
InChIKeyHUEBIMBADGRMGE-UHFFFAOYSA-N
XLogP0.41
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80789524
methyl 2-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate
CID 115266860
methyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate
CID 80944792
methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate
CID 80797128
methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80956565
methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate
CID 80969747
methyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]acetate
CID 114767112
methyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate
CID 80885529
methyl 2-[[4-bromo-2-[(2-methoxy-2-oxoethyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]amino]acetate
CID 24890286
1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one
CID 58679014
methyl 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetate
CID 136973721
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide
CID 112725449

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-6-bromopyrimidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(2-amino-6-bromopyrimidin-4-yl)amino]acetate (CID 131213825) is methyl 2-[(2-amino-6-bromopyrimidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-amino-6-bromopyrimidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(2-amino-6-bromopyrimidin-4-yl)amino]acetate is COC(=O)CNc1cc(Br)nc(N)n1.
What is the InChIKey of methyl 2-[(2-amino-6-bromopyrimidin-4-yl)amino]acetate?
The InChIKey is HUEBIMBADGRMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN4O2/c1-14-6(13)3-10-5-2-4(8)11-7(9)12-5/h2H,3H2,1H3,(H3,9,10,11,12).
What are the key properties of methyl 2-[(2-amino-6-bromopyrimidin-4-yl)amino]acetate?
methyl 2-[(2-amino-6-bromopyrimidin-4-yl)amino]acetate has a molecular weight of 261.08 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-6-bromopyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 131213825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).