tert-butyl N-[2-(6-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate

C15H15ClFN3O3 — CID 133063547

IUPACtert-butyl N-[2-(6-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1Oc1cc(Cl)nc(F)n1
InChIInChI=1S/C15H15ClFN3O3/c1-15(2,3)23-14(21)18-9-6-4-5-7-10(9)22-12-8-11(16)19-13(17)20-12/h4-8H,1-3H3,(H,18,21)
InChIKeyMOJGXJPVLSQNMB-UHFFFAOYSA-N
MW339.75 g/mol
LogP4.41
Rot. Bonds3

About tert-butyl N-[2-(6-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate

tert-butyl N-[2-(6-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate (PubChem CID 133063547) has the molecular formula C15H15ClFN3O3 and a molecular weight of 339.75 g/mol. Its IUPAC name is tert-butyl N-[2-(6-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate
PubChem CID133063547
Molecular FormulaC15H15ClFN3O3
Molecular Weight339.75 g/mol
Exact Mass339.08
IUPAC Nametert-butyl N-[2-(6-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1Oc1cc(Cl)nc(F)n1
InChIInChI=1S/C15H15ClFN3O3/c1-15(2,3)23-14(21)18-9-6-4-5-7-10(9)22-12-8-11(16)19-13(17)20-12/h4-8H,1-3H3,(H,18,21)
InChIKeyMOJGXJPVLSQNMB-UHFFFAOYSA-N
XLogP4.41
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(6-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate (CID 133063547) is tert-butyl N-[2-(6-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(6-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(6-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1Oc1cc(Cl)nc(F)n1.
What is the InChIKey of tert-butyl N-[2-(6-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate?
The InChIKey is MOJGXJPVLSQNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O3/c1-15(2,3)23-14(21)18-9-6-4-5-7-10(9)22-12-8-11(16)19-13(17)20-12/h4-8H,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-[2-(6-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate?
tert-butyl N-[2-(6-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate has a molecular weight of 339.75 g/mol, XLogP of 4.41, 3 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-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate is sourced from PubChem (CID 133063547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).