ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate

C13H21N3O3 — CID 112706252

IUPACethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)c1nc(C)cc(OC)n1
InChIInChI=1S/C13H21N3O3/c1-5-7-16(9-12(17)19-6-2)13-14-10(3)8-11(15-13)18-4/h8H,5-7,9H2,1-4H3
InChIKeyFDMNPQIAFAUHJS-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.57
Rot. Bonds7

About ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate

ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate (PubChem CID 112706252) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate
PubChem CID112706252
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Nameethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)c1nc(C)cc(OC)n1
InChIInChI=1S/C13H21N3O3/c1-5-7-16(9-12(17)19-6-2)13-14-10(3)8-11(15-13)18-4/h8H,5-7,9H2,1-4H3
InChIKeyFDMNPQIAFAUHJS-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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate?
The IUPAC name of ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate (CID 112706252) is ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate is CCCN(CC(=O)OCC)c1nc(C)cc(OC)n1.
What is the InChIKey of ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate?
The InChIKey is FDMNPQIAFAUHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-7-16(9-12(17)19-6-2)13-14-10(3)8-11(15-13)18-4/h8H,5-7,9H2,1-4H3.
What are the key properties of ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate?
ethyl 2-[(4-methoxy-6-methylpyrimidin-2-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 ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate is sourced from PubChem (CID 112706252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).