ethyl 2-[ethyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate

C13H17N5O2 — CID 23546011

IUPACethyl 2-[ethyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate
SMILESCCOC(=O)CN(CC)c1nccc(-n2cccn2)n1
InChIInChI=1S/C13H17N5O2/c1-3-17(10-12(19)20-4-2)13-14-8-6-11(16-13)18-9-5-7-15-18/h5-9H,3-4,10H2,1-2H3
InChIKeyKFJJPRAEDQMDPH-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.05
Rot. Bonds6

About ethyl 2-[ethyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate

ethyl 2-[ethyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate (PubChem CID 23546011) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl 2-[ethyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate
PubChem CID23546011
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Nameethyl 2-[ethyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate
SMILESCCOC(=O)CN(CC)c1nccc(-n2cccn2)n1
InChIInChI=1S/C13H17N5O2/c1-3-17(10-12(19)20-4-2)13-14-8-6-11(16-13)18-9-5-7-15-18/h5-9H,3-4,10H2,1-2H3
InChIKeyKFJJPRAEDQMDPH-UHFFFAOYSA-N
XLogP1.05
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[ethyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate (CID 23546011) is ethyl 2-[ethyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate is CCOC(=O)CN(CC)c1nccc(-n2cccn2)n1.
What is the InChIKey of ethyl 2-[ethyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate?
The InChIKey is KFJJPRAEDQMDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-17(10-12(19)20-4-2)13-14-8-6-11(16-13)18-9-5-7-15-18/h5-9H,3-4,10H2,1-2H3.
What are the key properties of ethyl 2-[ethyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate?
ethyl 2-[ethyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate has a molecular weight of 275.31 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 23546011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).