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

C15H21N5O2 — CID 23546021

IUPACethyl 2-[2-methylpropyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)c1nccc(-n2cccn2)n1
InChIInChI=1S/C15H21N5O2/c1-4-22-14(21)11-19(10-12(2)3)15-16-8-6-13(18-15)20-9-5-7-17-20/h5-9,12H,4,10-11H2,1-3H3
InChIKeyUXWDGARRRIMOBF-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.69
Rot. Bonds7

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

ethyl 2-[2-methylpropyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate (PubChem CID 23546021) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is ethyl 2-[2-methylpropyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methylpropyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate
PubChem CID23546021
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Nameethyl 2-[2-methylpropyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)c1nccc(-n2cccn2)n1
InChIInChI=1S/C15H21N5O2/c1-4-22-14(21)11-19(10-12(2)3)15-16-8-6-13(18-15)20-9-5-7-17-20/h5-9,12H,4,10-11H2,1-3H3
InChIKeyUXWDGARRRIMOBF-UHFFFAOYSA-N
XLogP1.69
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methylpropyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[2-methylpropyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate (CID 23546021) is ethyl 2-[2-methylpropyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[2-methylpropyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[2-methylpropyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate is CCOC(=O)CN(CC(C)C)c1nccc(-n2cccn2)n1.
What is the InChIKey of ethyl 2-[2-methylpropyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate?
The InChIKey is UXWDGARRRIMOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-4-22-14(21)11-19(10-12(2)3)15-16-8-6-13(18-15)20-9-5-7-17-20/h5-9,12H,4,10-11H2,1-3H3.
What are the key properties of ethyl 2-[2-methylpropyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate?
ethyl 2-[2-methylpropyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate has a molecular weight of 303.37 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methylpropyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 23546021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).