tert-butyl N-[1-(5-fluoropyrimidin-2-yl)ethyl]carbamate

C11H16FN3O2 — CID 76735918

IUPACtert-butyl N-[1-(5-fluoropyrimidin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1ncc(F)cn1
InChIInChI=1S/C11H16FN3O2/c1-7(9-13-5-8(12)6-14-9)15-10(16)17-11(2,3)4/h5-7H,1-4H3,(H,15,16)
InChIKeyHNXHBDFOMABPAW-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.20
Rot. Bonds2

About tert-butyl N-[1-(5-fluoropyrimidin-2-yl)ethyl]carbamate

tert-butyl N-[1-(5-fluoropyrimidin-2-yl)ethyl]carbamate (PubChem CID 76735918) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is tert-butyl N-[1-(5-fluoropyrimidin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-fluoropyrimidin-2-yl)ethyl]carbamate
PubChem CID76735918
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Nametert-butyl N-[1-(5-fluoropyrimidin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1ncc(F)cn1
InChIInChI=1S/C11H16FN3O2/c1-7(9-13-5-8(12)6-14-9)15-10(16)17-11(2,3)4/h5-7H,1-4H3,(H,15,16)
InChIKeyHNXHBDFOMABPAW-UHFFFAOYSA-N
XLogP2.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-fluoropyrimidin-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-fluoropyrimidin-2-yl)ethyl]carbamate (CID 76735918) is tert-butyl N-[1-(5-fluoropyrimidin-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-fluoropyrimidin-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-fluoropyrimidin-2-yl)ethyl]carbamate is CC(NC(=O)OC(C)(C)C)c1ncc(F)cn1.
What is the InChIKey of tert-butyl N-[1-(5-fluoropyrimidin-2-yl)ethyl]carbamate?
The InChIKey is HNXHBDFOMABPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-7(9-13-5-8(12)6-14-9)15-10(16)17-11(2,3)4/h5-7H,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[1-(5-fluoropyrimidin-2-yl)ethyl]carbamate?
tert-butyl N-[1-(5-fluoropyrimidin-2-yl)ethyl]carbamate has a molecular weight of 241.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-fluoropyrimidin-2-yl)ethyl]carbamate is sourced from PubChem (CID 76735918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).