tert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate

C16H19FN4O2 — CID 107240673

IUPACtert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(NCc2cnccn2)ccc1F
InChIInChI=1S/C16H19FN4O2/c1-16(2,3)23-15(22)21-14-8-11(4-5-13(14)17)20-10-12-9-18-6-7-19-12/h4-9,20H,10H2,1-3H3,(H,21,22)
InChIKeyJQIOEUWLKGPBOX-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.57
Rot. Bonds4

About tert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate

tert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate (PubChem CID 107240673) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate
PubChem CID107240673
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Nametert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(NCc2cnccn2)ccc1F
InChIInChI=1S/C16H19FN4O2/c1-16(2,3)23-15(22)21-14-8-11(4-5-13(14)17)20-10-12-9-18-6-7-19-12/h4-9,20H,10H2,1-3H3,(H,21,22)
InChIKeyJQIOEUWLKGPBOX-UHFFFAOYSA-N
XLogP3.57
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-fluoro-5-(pyrimidin-4-ylmethylamino)phenyl]carbamate
CID 107240536
tert-butyl N-[4-fluoro-3-(pyrimidin-4-ylmethylamino)phenyl]carbamate
CID 107240915
tert-butyl N-[2-fluoro-5-(propylamino)phenyl]carbamate
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tert-butyl N-[2-fluoro-5-[(1-methylimidazol-2-yl)methylamino]phenyl]carbamate
CID 107240649
tert-butyl N-[2-fluoro-5-(prop-2-ynylamino)phenyl]carbamate
CID 107240618
tert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate
CID 107240685
tert-butyl N-[4-fluoro-3-(pyridin-4-ylmethylamino)phenyl]carbamate
CID 107240932
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
tert-butyl N-[2-fluoro-5-(1H-pyrrol-2-ylmethylamino)phenyl]carbamate
CID 107240582
tert-butyl N-[5-[(2-cyanoacetyl)amino]-2-fluorophenyl]carbamate
CID 168521828
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-[5-(aminomethyl)-2-fluorophenyl]carbamate
CID 84701954

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate (CID 107240673) is tert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate is CC(C)(C)OC(=O)Nc1cc(NCc2cnccn2)ccc1F.
What is the InChIKey of tert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate?
The InChIKey is JQIOEUWLKGPBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-16(2,3)23-15(22)21-14-8-11(4-5-13(14)17)20-10-12-9-18-6-7-19-12/h4-9,20H,10H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate?
tert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate has a molecular weight of 318.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate is sourced from PubChem (CID 107240673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).