ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate

C11H17N3O3 — CID 62004945

IUPACethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate
SMILESCCOC(=O)CN(CC)c1nccc(OC)n1
InChIInChI=1S/C11H17N3O3/c1-4-14(8-10(15)17-5-2)11-12-7-6-9(13-11)16-3/h6-7H,4-5,8H2,1-3H3
InChIKeyIKALYZOSNVLATF-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.87
Rot. Bonds6

About ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate

ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate (PubChem CID 62004945) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate
PubChem CID62004945
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Nameethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate
SMILESCCOC(=O)CN(CC)c1nccc(OC)n1
InChIInChI=1S/C11H17N3O3/c1-4-14(8-10(15)17-5-2)11-12-7-6-9(13-11)16-3/h6-7H,4-5,8H2,1-3H3
InChIKeyIKALYZOSNVLATF-UHFFFAOYSA-N
XLogP0.87
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate
CID 55207180
N-butyl-N-ethyl-4-methoxypyrimidin-2-amine
CID 78818754
N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine
CID 60875696
ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate
CID 114051236
2-[(4-methoxypyrimidin-2-yl)-prop-2-ynylamino]acetic acid
CID 79274156
ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate
CID 112706252
ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate
CID 62006262
ethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate
CID 64584141
ethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate
CID 71845196
ethyl 2-[methyl-(4-methylpyrimidin-2-yl)amino]acetate
CID 62958932
methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 116796877
ethyl 2-[(2-carbamothioyl-4-pyridinyl)-ethylamino]acetate
CID 62925746

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate (CID 62004945) is ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate is CCOC(=O)CN(CC)c1nccc(OC)n1.
What is the InChIKey of ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate?
The InChIKey is IKALYZOSNVLATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-14(8-10(15)17-5-2)11-12-7-6-9(13-11)16-3/h6-7H,4-5,8H2,1-3H3.
What are the key properties of ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate?
ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate has a molecular weight of 239.27 g/mol, XLogP of 0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 62004945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).