methyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propylamino]acetate

C13H21N3O3 — CID 66331907

IUPACmethyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)c1cc(OCC)nc(C)n1
InChIInChI=1S/C13H21N3O3/c1-5-7-16(9-13(17)18-4)11-8-12(19-6-2)15-10(3)14-11/h8H,5-7,9H2,1-4H3
InChIKeyOLJWUMJCCZTXNV-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.57
Rot. Bonds7

About methyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propylamino]acetate

methyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propylamino]acetate (PubChem CID 66331907) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propylamino]acetate
PubChem CID66331907
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)c1cc(OCC)nc(C)n1
InChIInChI=1S/C13H21N3O3/c1-5-7-16(9-13(17)18-4)11-8-12(19-6-2)15-10(3)14-11/h8H,5-7,9H2,1-4H3
InChIKeyOLJWUMJCCZTXNV-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

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Related Compounds

methyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propan-2-ylamino]acetate
CID 66331702
methyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate
CID 66318758
methyl 3-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]propanoate
CID 66332677
2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid
CID 66332093
4-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]butanoic acid
CID 66331682
6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847511
methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
CID 103081962
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate
CID 66285332
4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79117889
N-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]-propylamino]acetamide
CID 80806263
methyl 2-[ethyl-(4-methyl-2-pyridinyl)amino]acetate
CID 62005209
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid
CID 66332295

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propylamino]acetate?
The IUPAC name of methyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propylamino]acetate (CID 66331907) is methyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propylamino]acetate is CCCN(CC(=O)OC)c1cc(OCC)nc(C)n1.
What is the InChIKey of methyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propylamino]acetate?
The InChIKey is OLJWUMJCCZTXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-7-16(9-13(17)18-4)11-8-12(19-6-2)15-10(3)14-11/h8H,5-7,9H2,1-4H3.
What are the key properties of methyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propylamino]acetate?
methyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propylamino]acetate 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 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propylamino]acetate is sourced from PubChem (CID 66331907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).