tert-butyl 3-[methyl(pyrazin-2-yl)amino]pyrrolidine-1-carboxylate

C14H22N4O2 — CID 71647115

IUPACtert-butyl 3-[methyl(pyrazin-2-yl)amino]pyrrolidine-1-carboxylate
SMILESCN(c1cnccn1)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-5-11(10-18)17(4)12-9-15-6-7-16-12/h6-7,9,11H,5,8,10H2,1-4H3
InChIKeyUQOANTOIGAQJBK-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.92
Rot. Bonds2

About tert-butyl 3-[methyl(pyrazin-2-yl)amino]pyrrolidine-1-carboxylate

tert-butyl 3-[methyl(pyrazin-2-yl)amino]pyrrolidine-1-carboxylate (PubChem CID 71647115) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is tert-butyl 3-[methyl(pyrazin-2-yl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[methyl(pyrazin-2-yl)amino]pyrrolidine-1-carboxylate
PubChem CID71647115
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nametert-butyl 3-[methyl(pyrazin-2-yl)amino]pyrrolidine-1-carboxylate
SMILESCN(c1cnccn1)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-5-11(10-18)17(4)12-9-15-6-7-16-12/h6-7,9,11H,5,8,10H2,1-4H3
InChIKeyUQOANTOIGAQJBK-UHFFFAOYSA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[methyl(pyrazin-2-yl)amino]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3R)-3-[methyl-(5-methyl-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71646670
tert-butyl (3S)-3-[methyl(1-pyrazin-2-ylethyl)amino]pyrrolidine-1-carboxylate
CID 71633228
tert-butyl 3-[(5-bromo-2-pyridinyl)-methylamino]pyrrolidine-1-carboxylate
CID 71647100
tert-butyl (3R)-3-[(2-chloropyrimidin-4-yl)-methylamino]pyrrolidine-1-carboxylate
CID 71646667
tert-butyl (3R)-3-[methyl(quinoxalin-2-yl)amino]pyrrolidine-1-carboxylate
CID 71646691
tert-butyl 3-[methyl-(2-oxo-2-pyrazin-2-ylethyl)amino]piperidine-1-carboxylate
CID 71647334
tert-butyl 3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxylate
CID 66862825
tert-butyl 3-[[di(pyrazin-2-yl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl 3-[(pyrazin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 159967570
tert-butyl (3S)-3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 99906455
tert-butyl 3-[isoquinolin-4-yl(methyl)amino]pyrrolidine-1-carboxylate
CID 175301075
tert-butyl (3R)-3-[methyl(pyridin-3-ylmethyl)amino]pyrrolidine-1-carboxylate
CID 71647429
tert-butyl 3-[methyl(quinolin-5-yl)amino]pyrrolidine-1-carboxylate
CID 175301049

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[methyl(pyrazin-2-yl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[methyl(pyrazin-2-yl)amino]pyrrolidine-1-carboxylate (CID 71647115) is tert-butyl 3-[methyl(pyrazin-2-yl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[methyl(pyrazin-2-yl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[methyl(pyrazin-2-yl)amino]pyrrolidine-1-carboxylate is CN(c1cnccn1)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[methyl(pyrazin-2-yl)amino]pyrrolidine-1-carboxylate?
The InChIKey is UQOANTOIGAQJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-5-11(10-18)17(4)12-9-15-6-7-16-12/h6-7,9,11H,5,8,10H2,1-4H3.
What are the key properties of tert-butyl 3-[methyl(pyrazin-2-yl)amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[methyl(pyrazin-2-yl)amino]pyrrolidine-1-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[methyl(pyrazin-2-yl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 71647115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).