tert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate

C11H16ClN3O3 — CID 175662867

IUPACtert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1cc(Cl)ncn1
InChIInChI=1S/C11H16ClN3O3/c1-11(2,3)18-10(16)13-4-5-17-9-6-8(12)14-7-15-9/h6-7H,4-5H2,1-3H3,(H,13,16)
InChIKeyGQTCFEJRYRISID-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.03
Rot. Bonds4

About tert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate

tert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate (PubChem CID 175662867) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is tert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate
PubChem CID175662867
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC Nametert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1cc(Cl)ncn1
InChIInChI=1S/C11H16ClN3O3/c1-11(2,3)18-10(16)13-4-5-17-9-6-8(12)14-7-15-9/h6-7H,4-5H2,1-3H3,(H,13,16)
InChIKeyGQTCFEJRYRISID-UHFFFAOYSA-N
XLogP2.03
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[2-[2-[2-(6-chloropyrimidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140799488
tert-butyl N-[2-[(6-chloropyrimidine-4-carbonyl)amino]ethyl]carbamate
CID 153127652
tert-butyl N-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]carbamate
CID 90434725
tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate
CID 145199582
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]pyridine-3-carboxylic acid
CID 167741543
tert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate
CID 156619972
tert-butyl N-[3-(2,4,6-trichloropyrimidin-5-yl)oxypropyl]carbamate
CID 176915180
tert-butyl N-[2-(4-amino-3-chlorophenoxy)ethyl]carbamate
CID 134180761
tert-butyl N-[2-(5-chloro-2-iodophenoxy)ethyl]carbamate
CID 175686847
methyl 4-chloro-2-fluoro-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoate
CID 90008210
tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate
CID 15434960
tert-butyl N-[2-[2-(3,5-dichloro-2-pyridinyl)-2-oxoethoxy]ethyl]carbamate
CID 150355605

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate (CID 175662867) is tert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate is CC(C)(C)OC(=O)NCCOc1cc(Cl)ncn1.
What is the InChIKey of tert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate?
The InChIKey is GQTCFEJRYRISID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3/c1-11(2,3)18-10(16)13-4-5-17-9-6-8(12)14-7-15-9/h6-7H,4-5H2,1-3H3,(H,13,16).
What are the key properties of tert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate?
tert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate has a molecular weight of 273.72 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate is sourced from PubChem (CID 175662867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).