6-(morpholin-4-yl)pyrazin-2-amine

• ChemBase ID: 67221
• Molecular Formular: C8H12N4O
• Molecular Mass: 180.20708
• Monoisotopic Mass: 180.10111102
• SMILES: c1(cncc(n1)N1CCOCC1)N
• Canonical SMILES: Nc1cncc(n1)N1CCOCC1
• InChI: InChI=1S/C8H12N4O/c9-7-5-10-6-8(11-7)12-1-3-13-4-2-12/h5-6H,1-4H2,(H2,9,11)
• InChIKey: PTQRJZXZMRXHBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholin-4-yl)pyrazin-2-amine
• IUPAC Traditional name: 6-(morpholin-4-yl)pyrazin-2-amine
• Synonyms: 6-Morpholinopyrazin-2-amine; 6-(4-Morpholinyl)pyrazinamine

Database IDs

• CAS Number: 717847-03-5
• MDL Number: MFCD11109827
• PubChem SID: 162032957
• PubChem CID: 45789813

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.2181614
• LogD (pH = 7.4): -0.21263742
• Log P: -0.21256652
• Molar Refractivity: 50.5747 cm^3
• Polarizability: 18.178791 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%