tert-butyl 2-(2-pentan-2-ylpyrimidin-5-yl)acetate

C15H24N2O2 — CID 178103183

IUPACtert-butyl 2-(2-pentan-2-ylpyrimidin-5-yl)acetate
SMILESCCCC(C)c1ncc(CC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C15H24N2O2/c1-6-7-11(2)14-16-9-12(10-17-14)8-13(18)19-15(3,4)5/h9-11H,6-8H2,1-5H3
InChIKeyUANGMZLFXQXENS-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.26
Rot. Bonds5

About tert-butyl 2-(2-pentan-2-ylpyrimidin-5-yl)acetate

tert-butyl 2-(2-pentan-2-ylpyrimidin-5-yl)acetate (PubChem CID 178103183) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl 2-(2-pentan-2-ylpyrimidin-5-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-pentan-2-ylpyrimidin-5-yl)acetate
PubChem CID178103183
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl 2-(2-pentan-2-ylpyrimidin-5-yl)acetate
SMILESCCCC(C)c1ncc(CC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C15H24N2O2/c1-6-7-11(2)14-16-9-12(10-17-14)8-13(18)19-15(3,4)5/h9-11H,6-8H2,1-5H3
InChIKeyUANGMZLFXQXENS-UHFFFAOYSA-N
XLogP3.26
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-pentan-2-ylpyrimidin-5-yl)acetate?
The IUPAC name of tert-butyl 2-(2-pentan-2-ylpyrimidin-5-yl)acetate (CID 178103183) is tert-butyl 2-(2-pentan-2-ylpyrimidin-5-yl)acetate.
What is the SMILES notation for tert-butyl 2-(2-pentan-2-ylpyrimidin-5-yl)acetate?
The canonical SMILES for tert-butyl 2-(2-pentan-2-ylpyrimidin-5-yl)acetate is CCCC(C)c1ncc(CC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl 2-(2-pentan-2-ylpyrimidin-5-yl)acetate?
The InChIKey is UANGMZLFXQXENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-6-7-11(2)14-16-9-12(10-17-14)8-13(18)19-15(3,4)5/h9-11H,6-8H2,1-5H3.
What are the key properties of tert-butyl 2-(2-pentan-2-ylpyrimidin-5-yl)acetate?
tert-butyl 2-(2-pentan-2-ylpyrimidin-5-yl)acetate has a molecular weight of 264.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-pentan-2-ylpyrimidin-5-yl)acetate is sourced from PubChem (CID 178103183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).