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

C11H16FN3O2 — CID 58367398

IUPACtert-butyl N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamate
SMILESC[C@H](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)/t7-/m0/s1
InChIKeyHNXHBDFOMABPAW-ZETCQYMHSA-N
MW241.27 g/mol
LogP2.20
Rot. Bonds2

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

tert-butyl N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamate (PubChem CID 58367398) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamate
PubChem CID58367398
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Nametert-butyl N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamate
SMILESC[C@H](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)/t7-/m0/s1
InChIKeyHNXHBDFOMABPAW-ZETCQYMHSA-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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Related Compounds

tert-butyl (3R)-3-[(2-aminopyrimidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 49857009
tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate
CID 57345809
tert-butyl N-[1-(5-bromopyrimidin-2-yl)cyclopropyl]carbamate
CID 67508268
1,1-Dimethylethyl N-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]methyl]carbamate
CID 86682142
tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]-N-methylcarbamate
CID 132371402
(S)-N-(1-(5-Fluoropyrimidin-2-yl)ethyl)acetamide
CID 58367416
(S)-[1-(5-bromopyrimidin-2-yl)-pyrrolidin-3-yl]-carbamic acid tert-butyl ester
CID 66854295
tert-butyl N-(3-((6-fluoropyrimidin-4-yl)amino)propyl)carbamate
CID 114518267
tert-butyl N-{2-[(6-fluoropyrimidin-4-yl)amino]ethyl}carbamate
CID 114518300
tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate
CID 167721913
tert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate
CID 170912230
Carbamic acid, N-(1-(2-chloro-5-fluoro-4-pyrimidinyl)-4-piperidinyl)-, 1,1-dimethylethyl ester
CID 56763778

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamate (CID 58367398) is tert-butyl N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)c1ncc(F)cn1.
What is the InChIKey of tert-butyl N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamate?
The InChIKey is HNXHBDFOMABPAW-ZETCQYMHSA-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)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamate?
tert-butyl N-[(1S)-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-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamate is sourced from PubChem (CID 58367398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).