tert-butyl N-[(2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate

C15H21F3N4O2 — CID 118326353

IUPACtert-butyl N-[(2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C15H21F3N4O2/c1-14(2,3)24-13(23)22-10-6-4-5-9(10)21-12-8-19-11(7-20-12)15(16,17)18/h7-10H,4-6H2,1-3H3,(H,20,21)(H,22,23)/t9-,10?/m0/s1
InChIKeyPQNDRGCINWXMCW-RGURZIINSA-N
MW346.35 g/mol
LogP3.35
Rot. Bonds3

About tert-butyl N-[(2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate

tert-butyl N-[(2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate (PubChem CID 118326353) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate
PubChem CID118326353
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Nametert-butyl N-[(2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C15H21F3N4O2/c1-14(2,3)24-13(23)22-10-6-4-5-9(10)21-12-8-19-11(7-20-12)15(16,17)18/h7-10H,4-6H2,1-3H3,(H,20,21)(H,22,23)/t9-,10?/m0/s1
InChIKeyPQNDRGCINWXMCW-RGURZIINSA-N
XLogP3.35
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate (CID 118326353) is tert-butyl N-[(2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1.
What is the InChIKey of tert-butyl N-[(2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate?
The InChIKey is PQNDRGCINWXMCW-RGURZIINSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-14(2,3)24-13(23)22-10-6-4-5-9(10)21-12-8-19-11(7-20-12)15(16,17)18/h7-10H,4-6H2,1-3H3,(H,20,21)(H,22,23)/t9-,10?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate?
tert-butyl N-[(2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate has a molecular weight of 346.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate is sourced from PubChem (CID 118326353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).