benzyl 2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetate

C16H19N3O3 — CID 126849644

IUPACbenzyl 2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetate
SMILESCCOCc1cc(NCC(=O)OCc2ccccc2)ncn1
InChIInChI=1S/C16H19N3O3/c1-2-21-11-14-8-15(19-12-18-14)17-9-16(20)22-10-13-6-4-3-5-7-13/h3-8,12H,2,9-11H2,1H3,(H,17,18,19)
InChIKeyMMONWESXQAPWKB-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.17
Rot. Bonds8

About benzyl 2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetate

benzyl 2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetate (PubChem CID 126849644) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is benzyl 2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetate
PubChem CID126849644
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namebenzyl 2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetate
SMILESCCOCc1cc(NCC(=O)OCc2ccccc2)ncn1
InChIInChI=1S/C16H19N3O3/c1-2-21-11-14-8-15(19-12-18-14)17-9-16(20)22-10-13-6-4-3-5-7-13/h3-8,12H,2,9-11H2,1H3,(H,17,18,19)
InChIKeyMMONWESXQAPWKB-UHFFFAOYSA-N
XLogP2.17
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetamide
CID 126848383
benzyl 2-[[6-(dimethylamino)pyrimidin-4-yl]amino]acetate
CID 122282164
methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate
CID 61240139
ethyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]benzoate
CID 162365695
benzyl 2-[[5-[(2-oxo-2-phenylmethoxyethyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]acetate
CID 10623339
ethyl 2-(4-phenylmethoxyanilino)acetate
CID 3652798
benzyl propanoate;hydrochloride
CID 140986165
benzyl 2-(3,3-dimethylbutanoylamino)acetate
CID 78799807
benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate
CID 159493604
2-ethoxy-N-phenylmethoxyacetamide
CID 60669074
(213C)ethoxymethylbenzene
CID 87947851
benzyl (3S)-3-aminopentanoate
CID 89472657

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetate?
The IUPAC name of benzyl 2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetate (CID 126849644) is benzyl 2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetate.
What is the SMILES notation for benzyl 2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetate?
The canonical SMILES for benzyl 2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetate is CCOCc1cc(NCC(=O)OCc2ccccc2)ncn1.
What is the InChIKey of benzyl 2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetate?
The InChIKey is MMONWESXQAPWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-21-11-14-8-15(19-12-18-14)17-9-16(20)22-10-13-6-4-3-5-7-13/h3-8,12H,2,9-11H2,1H3,(H,17,18,19).
What are the key properties of benzyl 2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetate?
benzyl 2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetate has a molecular weight of 301.35 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 126849644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).