tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate

C14H22N4O2 — CID 175109329

IUPACtert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate
SMILESCc1cnc(NC2CCN(C(=O)OC(C)(C)C)C2)cn1
InChIInChI=1S/C14H22N4O2/c1-10-7-16-12(8-15-10)17-11-5-6-18(9-11)13(19)20-14(2,3)4/h7-8,11H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyOJYPHLKIQOHLOE-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.21
Rot. Bonds2

About tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate

tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate (PubChem CID 175109329) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate
PubChem CID175109329
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nametert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate
SMILESCc1cnc(NC2CCN(C(=O)OC(C)(C)C)C2)cn1
InChIInChI=1S/C14H22N4O2/c1-10-7-16-12(8-15-10)17-11-5-6-18(9-11)13(19)20-14(2,3)4/h7-8,11H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyOJYPHLKIQOHLOE-UHFFFAOYSA-N
XLogP2.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[(5-methylpyrazin-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-[(5-bromo-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629441
tert-butyl (3R)-3-[(5-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 66884944
methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 168758594
tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate
CID 71301820
tert-butyl 3-[(5-trimethylstannylpyrazin-2-yl)amino]azetidine-1-carboxylate
CID 169008754
tert-butyl 3-[[5-(hydroxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 150009330
tert-butyl 3-[(1-methylimidazol-2-yl)amino]pyrrolidine-1-carboxylate
CID 177305921
tert-butyl 3-(1,3-thiazol-2-ylamino)pyrrolidine-1-carboxylate
CID 71629653
tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 26385053
tert-butyl (3R)-3-[[5-[(Z)-3-ethoxy-2-fluoro-3-oxoprop-1-enyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 140500493
CID 174147997
CID 174147997
tert-butyl 3-[(6-bromo-2-oxo-1H-pyrazin-3-yl)amino]pyrrolidine-1-carboxylate
CID 167351130

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate (CID 175109329) is tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate is Cc1cnc(NC2CCN(C(=O)OC(C)(C)C)C2)cn1.
What is the InChIKey of tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate?
The InChIKey is OJYPHLKIQOHLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-7-16-12(8-15-10)17-11-5-6-18(9-11)13(19)20-14(2,3)4/h7-8,11H,5-6,9H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 175109329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).