[5-(morpholin-4-yl)pyrimidin-2-yl]methanamine hydrochloride

• ChemBase ID: 815494
• Molecular Formular: C9H15ClN4O
• Molecular Mass: 230.6946
• Monoisotopic Mass: 230.0934388
• SMILES: Cl.C(N)c1ncc(cn1)N1CCOCC1
• Canonical SMILES: NCc1ncc(cn1)N1CCOCC1.Cl
• InChI: InChI=1S/C9H14N4O.ClH/c10-5-9-11-6-8(7-12-9)13-1-3-14-4-2-13;/h6-7H,1-5,10H2;1H
• InChIKey: KUFOETUCYGIFBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(morpholin-4-yl)pyrimidin-2-yl]methanamine hydrochloride
• IUPAC Traditional name: [5-(morpholin-4-yl)pyrimidin-2-yl]methanamine hydrochloride
• Synonyms: (5-morpholinopyrimidin-2-yl)methanamine hydrochloride

Database IDs

• CAS Number: 1196155-79-9

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.7132962
• LogD (pH = 7.4): -1.0030289
• Log P: -0.44495773
• Molar Refractivity: 54.2095 cm^3
• Polarizability: 20.386433 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%