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

• ChemBase ID: 815487
• Molecular Formular: C9H15ClN4O
• Molecular Mass: 230.6946
• Monoisotopic Mass: 230.0934388
• SMILES: Cl.C(N)c1nc(ccn1)N1CCOCC1
• Canonical SMILES: NCc1nccc(n1)N1CCOCC1.Cl
• InChI: InChI=1S/C9H14N4O.ClH/c10-7-8-11-2-1-9(12-8)13-3-5-14-6-4-13;/h1-2H,3-7,10H2;1H
• InChIKey: LCJWSWJKWGVRES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1196145-95-5

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.0020037
• LogD (pH = 7.4): -0.30958128
• Log P: 0.18141736
• Molar Refractivity: 54.523 cm^3
• Polarizability: 20.381731 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%