ethyl 2-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]acetate

C13H19N5O3 — CID 17174442

IUPACethyl 2-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H19N5O3/c1-2-21-11(19)10-16-13(20)18-8-6-17(7-9-18)12-14-4-3-5-15-12/h3-5H,2,6-10H2,1H3,(H,16,20)
InChIKeyXAIWUAZHVDKKMM-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.13
Rot. Bonds4

About ethyl 2-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]acetate

ethyl 2-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]acetate (PubChem CID 17174442) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is ethyl 2-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]acetate
PubChem CID17174442
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Nameethyl 2-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H19N5O3/c1-2-21-11(19)10-16-13(20)18-8-6-17(7-9-18)12-14-4-3-5-15-12/h3-5H,2,6-10H2,1H3,(H,16,20)
InChIKeyXAIWUAZHVDKKMM-UHFFFAOYSA-N
XLogP-0.13
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]acetate (CID 17174442) is ethyl 2-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]acetate is CCOC(=O)CNC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of ethyl 2-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]acetate?
The InChIKey is XAIWUAZHVDKKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-2-21-11(19)10-16-13(20)18-8-6-17(7-9-18)12-14-4-3-5-15-12/h3-5H,2,6-10H2,1H3,(H,16,20).
What are the key properties of ethyl 2-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]acetate?
ethyl 2-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]acetate has a molecular weight of 293.33 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]acetate is sourced from PubChem (CID 17174442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).