ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methylamino]acetate

C13H21N3O2 — CID 168719757

IUPACethyl 2-[(4,6-diethylpyrimidin-2-yl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1nc(CC)cc(CC)n1
InChIInChI=1S/C13H21N3O2/c1-5-10-8-11(6-2)15-13(14-10)16(4)9-12(17)18-7-3/h8H,5-7,9H2,1-4H3
InChIKeyMVDCBXIEQXAEDI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.60
Rot. Bonds6

About ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methylamino]acetate

ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methylamino]acetate (PubChem CID 168719757) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4,6-diethylpyrimidin-2-yl)-methylamino]acetate
PubChem CID168719757
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nameethyl 2-[(4,6-diethylpyrimidin-2-yl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1nc(CC)cc(CC)n1
InChIInChI=1S/C13H21N3O2/c1-5-10-8-11(6-2)15-13(14-10)16(4)9-12(17)18-7-3/h8H,5-7,9H2,1-4H3
InChIKeyMVDCBXIEQXAEDI-UHFFFAOYSA-N
XLogP1.60
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-propionic acid methyl ester
CID 2862961
[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-acetic acid ethyl ester
CID 1827932
[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-acetic acid methyl ester
CID 694914
Diethyl [cyano(4,6-dimethylpyrimidin-2-yl)amino]propanedioate
CID 2215050
Methyl 4,6-dimethylpyrimidine-2-carboxylate
CID 12276698
N-(4,6-dimethylpyrimidin-2-yl)-N-methylglycine
CID 312675
2-[2-Methylpropyl-(2-methyl-6-propylpyrimidin-4-yl)amino]acetic acid
CID 122561099
Ethyl 2-[[4,6-bis(2-sulfanylethyl)pyrimidin-2-yl]-methylamino]acetate
CID 168678289
2-(N-cyano-N-carbethoxymethyl)amino-4,6-dimethylpyrimidine
CID 129790901
2-Ethoxycarbonyl-1,4,6-trimethylpyrimidinium iodide
CID 129796822
Ethyl [carbamoyl(4,6-dimethylpyrimidin-2-yl)amino]acetate
CID 162639432
(z)-N-[3-(4,6-dimethylpyrimidin-2-yl)-5-oxo-1,3-oxazolidin-2-ylidene]acetamide
CID 172994839

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methylamino]acetate (CID 168719757) is ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methylamino]acetate is CCOC(=O)CN(C)c1nc(CC)cc(CC)n1.
What is the InChIKey of ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methylamino]acetate?
The InChIKey is MVDCBXIEQXAEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-10-8-11(6-2)15-13(14-10)16(4)9-12(17)18-7-3/h8H,5-7,9H2,1-4H3.
What are the key properties of ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methylamino]acetate?
ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methylamino]acetate has a molecular weight of 251.33 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methylamino]acetate is sourced from PubChem (CID 168719757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).