methyl 2-[methyl(pyrimidin-2-yl)amino]acetate

C8H11N3O2 — CID 60660073

IUPACmethyl 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCOC(=O)CN(C)c1ncccn1
InChIInChI=1S/C8H11N3O2/c1-11(6-7(12)13-2)8-9-4-3-5-10-8/h3-5H,6H2,1-2H3
InChIKeyGBPCYESJZGHBCZ-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.09
Rot. Bonds3

About methyl 2-[methyl(pyrimidin-2-yl)amino]acetate

methyl 2-[methyl(pyrimidin-2-yl)amino]acetate (PubChem CID 60660073) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is methyl 2-[methyl(pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(pyrimidin-2-yl)amino]acetate
PubChem CID60660073
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Namemethyl 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCOC(=O)CN(C)c1ncccn1
InChIInChI=1S/C8H11N3O2/c1-11(6-7(12)13-2)8-9-4-3-5-10-8/h3-5H,6H2,1-2H3
InChIKeyGBPCYESJZGHBCZ-UHFFFAOYSA-N
XLogP0.09
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate
CID 116978022
methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate
CID 63872672
methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate
CID 62006126
methyl 2-[(5-cyclopentylpyrimidin-2-yl)-methylamino]acetate
CID 116978026
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate
CID 115355509
[2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063495
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602827
N-[(2-methylpropan-2-yl)oxy]-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 82723385
ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate
CID 55037918
methyl 2-[methyl(pyridine-2-carbonyl)amino]acetate
CID 43407333
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46481681
methyl 2-[(3-carbamothioylpyrazin-2-yl)-methylamino]acetate
CID 62683928

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(pyrimidin-2-yl)amino]acetate?
The IUPAC name of methyl 2-[methyl(pyrimidin-2-yl)amino]acetate (CID 60660073) is methyl 2-[methyl(pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(pyrimidin-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(pyrimidin-2-yl)amino]acetate is COC(=O)CN(C)c1ncccn1.
What is the InChIKey of methyl 2-[methyl(pyrimidin-2-yl)amino]acetate?
The InChIKey is GBPCYESJZGHBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11(6-7(12)13-2)8-9-4-3-5-10-8/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-[methyl(pyrimidin-2-yl)amino]acetate?
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate has a molecular weight of 181.20 g/mol, XLogP of 0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 60660073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).