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

C10H13FN2O2 — CID 121231620

IUPACtert-butyl 2-(5-fluoropyrimidin-2-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1ncc(F)cn1
InChIInChI=1S/C10H13FN2O2/c1-10(2,3)15-9(14)4-8-12-5-7(11)6-13-8/h5-6H,4H2,1-3H3
InChIKeyADHKVPASVYWYNK-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.50
Rot. Bonds2

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

tert-butyl 2-(5-fluoropyrimidin-2-yl)acetate (PubChem CID 121231620) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is tert-butyl 2-(5-fluoropyrimidin-2-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(5-fluoropyrimidin-2-yl)acetate
PubChem CID121231620
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Nametert-butyl 2-(5-fluoropyrimidin-2-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1ncc(F)cn1
InChIInChI=1S/C10H13FN2O2/c1-10(2,3)15-9(14)4-8-12-5-7(11)6-13-8/h5-6H,4H2,1-3H3
InChIKeyADHKVPASVYWYNK-UHFFFAOYSA-N
XLogP1.50
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate
CID 133062944
tert-butyl N-[(5-fluoropyrimidin-2-yl)methyl]carbamate;(5-fluoropyrimidin-2-yl)methanamine;hydrochloride
CID 162004917
tert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate
CID 158312232
tert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate
CID 133060482
tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate
CID 167721913
tert-butyl 2-[5-fluoro-2-(oxan-2-yl)-3-pyridinyl]acetate
CID 146486048
tert-butyl 2-(2-bromo-5-fluorophenyl)acetate
CID 176515254
tert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate
CID 158284808
tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate
CID 133058846
tert-butyl 2-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]acetate
CID 118560205
tert-butyl N-[(5-fluoro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133059742
tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
CID 114518182

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-fluoropyrimidin-2-yl)acetate?
The IUPAC name of tert-butyl 2-(5-fluoropyrimidin-2-yl)acetate (CID 121231620) is tert-butyl 2-(5-fluoropyrimidin-2-yl)acetate.
What is the SMILES notation for tert-butyl 2-(5-fluoropyrimidin-2-yl)acetate?
The canonical SMILES for tert-butyl 2-(5-fluoropyrimidin-2-yl)acetate is CC(C)(C)OC(=O)Cc1ncc(F)cn1.
What is the InChIKey of tert-butyl 2-(5-fluoropyrimidin-2-yl)acetate?
The InChIKey is ADHKVPASVYWYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-10(2,3)15-9(14)4-8-12-5-7(11)6-13-8/h5-6H,4H2,1-3H3.
What are the key properties of tert-butyl 2-(5-fluoropyrimidin-2-yl)acetate?
tert-butyl 2-(5-fluoropyrimidin-2-yl)acetate has a molecular weight of 212.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-fluoropyrimidin-2-yl)acetate is sourced from PubChem (CID 121231620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).