tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate

C10H14N2O3 — CID 133062944

IUPACtert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1ncc(O)cn1
InChIInChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)4-8-11-5-7(13)6-12-8/h5-6,13H,4H2,1-3H3
InChIKeyANAGURQGHZVZNP-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.07
Rot. Bonds2

About tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate

tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate (PubChem CID 133062944) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate
PubChem CID133062944
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nametert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1ncc(O)cn1
InChIInChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)4-8-11-5-7(13)6-12-8/h5-6,13H,4H2,1-3H3
InChIKeyANAGURQGHZVZNP-UHFFFAOYSA-N
XLogP1.07
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate?
The IUPAC name of tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate (CID 133062944) is tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate.
What is the SMILES notation for tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate?
The canonical SMILES for tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate is CC(C)(C)OC(=O)Cc1ncc(O)cn1.
What is the InChIKey of tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate?
The InChIKey is ANAGURQGHZVZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)4-8-11-5-7(13)6-12-8/h5-6,13H,4H2,1-3H3.
What are the key properties of tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate?
tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate has a molecular weight of 210.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate is sourced from PubChem (CID 133062944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).