methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate

C13H21N3O3 — CID 112635237

IUPACmethyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate
SMILESCCOc1cc(C)nc(N(C)CCCC(=O)OC)n1
InChIInChI=1S/C13H21N3O3/c1-5-19-11-9-10(2)14-13(15-11)16(3)8-6-7-12(17)18-4/h9H,5-8H2,1-4H3
InChIKeyZDWLEYGSPHBSTL-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.57
Rot. Bonds7

About methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate

methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate (PubChem CID 112635237) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate
PubChem CID112635237
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate
SMILESCCOc1cc(C)nc(N(C)CCCC(=O)OC)n1
InChIInChI=1S/C13H21N3O3/c1-5-19-11-9-10(2)14-13(15-11)16(3)8-6-7-12(17)18-4/h9H,5-8H2,1-4H3
InChIKeyZDWLEYGSPHBSTL-UHFFFAOYSA-N
XLogP1.57
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate 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

methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate
CID 112635260
methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate
CID 115973708
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 112635403
methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate
CID 112638969
4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid
CID 112634351
methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate
CID 62006126
methyl 4-[methyl-(4-propoxypyrimidin-2-yl)amino]butanoate
CID 112638953
methyl 4-[(4-methoxy-4-oxobutyl)-methylamino]-6-methylpyrimidine-2-carboxylate
CID 66286542
methyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate
CID 115973715
4-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]butanoic acid
CID 66331682
4-ethoxy-N,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
CID 112635056
methyl 4-[methyl(quinazolin-2-yl)amino]butanoate
CID 114789702

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate?
The IUPAC name of methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate (CID 112635237) is methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate.
What is the SMILES notation for methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate?
The canonical SMILES for methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate is CCOc1cc(C)nc(N(C)CCCC(=O)OC)n1.
What is the InChIKey of methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate?
The InChIKey is ZDWLEYGSPHBSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-19-11-9-10(2)14-13(15-11)16(3)8-6-7-12(17)18-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate?
methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate has a molecular weight of 267.33 g/mol, XLogP of 1.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate is sourced from PubChem (CID 112635237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).