[2-(ethylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate

C11H16N4O3 — CID 30906176

IUPAC[2-(ethylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCCNC(=O)COC(=O)CN(C)c1ncccn1
InChIInChI=1S/C11H16N4O3/c1-3-12-9(16)8-18-10(17)7-15(2)11-13-5-4-6-14-11/h4-6H,3,7-8H2,1-2H3,(H,12,16)
InChIKeyMNYXZYATBFXBJB-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.41
Rot. Bonds6

About [2-(ethylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate

[2-(ethylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (PubChem CID 30906176) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
PubChem CID30906176
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name[2-(ethylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCCNC(=O)COC(=O)CN(C)c1ncccn1
InChIInChI=1S/C11H16N4O3/c1-3-12-9(16)8-18-10(17)7-15(2)11-13-5-4-6-14-11/h4-6H,3,7-8H2,1-2H3,(H,12,16)
InChIKeyMNYXZYATBFXBJB-UHFFFAOYSA-N
XLogP-0.41
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (CID 30906176) is [2-(ethylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is CCNC(=O)COC(=O)CN(C)c1ncccn1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The InChIKey is MNYXZYATBFXBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-3-12-9(16)8-18-10(17)7-15(2)11-13-5-4-6-14-11/h4-6H,3,7-8H2,1-2H3,(H,12,16).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
[2-(ethylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate has a molecular weight of 252.27 g/mol, XLogP of -0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 30906176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).