tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate

C11H17N3O2 — CID 96537570

IUPACtert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCc1ncccn1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-8-5-9-12-6-4-7-13-9/h4,6-7H,5,8H2,1-3H3,(H,14,15)
InChIKeyWDANULJECHXJNV-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.54
Rot. Bonds3

About tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate

tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate (PubChem CID 96537570) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
PubChem CID96537570
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nametert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCc1ncccn1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-8-5-9-12-6-4-7-13-9/h4,6-7H,5,8H2,1-3H3,(H,14,15)
InChIKeyWDANULJECHXJNV-UHFFFAOYSA-N
XLogP1.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate
CID 142472999
tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate
CID 21027861
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
CID 57366772
tert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate
CID 173054324
tert-butyl N-[2-(3-methyl-1,4-dioxonaphthalen-2-yl)ethyl]carbamate
CID 10852825
tert-butyl N-(2,3-dihydroxy-3-pyrimidin-2-ylpropyl)carbamate
CID 170831522
tert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate
CID 66523268
tert-butyl N-[2-(3-pyridin-2-ylprop-2-enoylamino)ethyl]carbamate
CID 103598780
tert-butyl N-[2-[2-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 141182923
tert-butyl N-[2-(5,10-dioxopyrido[3,2-g]quinolin-6-yl)ethyl]carbamate
CID 10937100

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate (CID 96537570) is tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate is CC(C)(C)OC(=O)NCCc1ncccn1.
What is the InChIKey of tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate?
The InChIKey is WDANULJECHXJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-8-5-9-12-6-4-7-13-9/h4,6-7H,5,8H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate?
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate has a molecular weight of 223.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate is sourced from PubChem (CID 96537570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).