methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate

C10H15N3O4 — CID 115355509

IUPACmethyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1nc(OC)cc(OC)n1
InChIInChI=1S/C10H15N3O4/c1-13(6-9(14)17-4)10-11-7(15-2)5-8(12-10)16-3/h5H,6H2,1-4H3
InChIKeyHTIJBHMMIPWZNK-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.10
Rot. Bonds5

About methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate

methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate (PubChem CID 115355509) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate
PubChem CID115355509
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Namemethyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1nc(OC)cc(OC)n1
InChIInChI=1S/C10H15N3O4/c1-13(6-9(14)17-4)10-11-7(15-2)5-8(12-10)16-3/h5H,6H2,1-4H3
InChIKeyHTIJBHMMIPWZNK-UHFFFAOYSA-N
XLogP0.10
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetic acid
CID 115354683
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
N'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 115355568
methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate
CID 113293035
N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115355307
methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate
CID 63872672
2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid
CID 115354708
4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 171691462
N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 141146722
methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxybutanoate
CID 15676624
3-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]propanenitrile
CID 115354838
methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate
CID 115232845

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate?
The IUPAC name of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate (CID 115355509) is methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate is COC(=O)CN(C)c1nc(OC)cc(OC)n1.
What is the InChIKey of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate?
The InChIKey is HTIJBHMMIPWZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-13(6-9(14)17-4)10-11-7(15-2)5-8(12-10)16-3/h5H,6H2,1-4H3.
What are the key properties of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate?
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate has a molecular weight of 241.25 g/mol, XLogP of 0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate is sourced from PubChem (CID 115355509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).