ethyl 2-(pyrimidin-5-ylcarbamoylamino)acetate

C9H12N4O3 — CID 107589554

IUPACethyl 2-(pyrimidin-5-ylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)Nc1cncnc1
InChIInChI=1S/C9H12N4O3/c1-2-16-8(14)5-12-9(15)13-7-3-10-6-11-4-7/h3-4,6H,2,5H2,1H3,(H2,12,13,15)
InChIKeyFREXHYAPCROPGR-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.16
Rot. Bonds4

About ethyl 2-(pyrimidin-5-ylcarbamoylamino)acetate

ethyl 2-(pyrimidin-5-ylcarbamoylamino)acetate (PubChem CID 107589554) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is ethyl 2-(pyrimidin-5-ylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(pyrimidin-5-ylcarbamoylamino)acetate
PubChem CID107589554
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Nameethyl 2-(pyrimidin-5-ylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)Nc1cncnc1
InChIInChI=1S/C9H12N4O3/c1-2-16-8(14)5-12-9(15)13-7-3-10-6-11-4-7/h3-4,6H,2,5H2,1H3,(H2,12,13,15)
InChIKeyFREXHYAPCROPGR-UHFFFAOYSA-N
XLogP0.16
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pyrimidin-5-ylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(pyrimidin-5-ylcarbamoylamino)acetate (CID 107589554) is ethyl 2-(pyrimidin-5-ylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(pyrimidin-5-ylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(pyrimidin-5-ylcarbamoylamino)acetate is CCOC(=O)CNC(=O)Nc1cncnc1.
What is the InChIKey of ethyl 2-(pyrimidin-5-ylcarbamoylamino)acetate?
The InChIKey is FREXHYAPCROPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-2-16-8(14)5-12-9(15)13-7-3-10-6-11-4-7/h3-4,6H,2,5H2,1H3,(H2,12,13,15).
What are the key properties of ethyl 2-(pyrimidin-5-ylcarbamoylamino)acetate?
ethyl 2-(pyrimidin-5-ylcarbamoylamino)acetate has a molecular weight of 224.22 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pyrimidin-5-ylcarbamoylamino)acetate is sourced from PubChem (CID 107589554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).