2-(2-methylpyrimidin-4-yl)morpholine dihydrochloride

• ChemBase ID: 62334
• Molecular Formular: C9H15Cl2N3O
• Molecular Mass: 252.1409
• Monoisotopic Mass: 251.05921748
• SMILES: n1c(C2OCCNC2)ccnc1C.Cl.Cl
• Canonical SMILES: Cc1nccc(n1)C1OCCNC1.Cl.Cl
• InChI: InChI=1S/C9H13N3O.2ClH/c1-7-11-3-2-8(12-7)9-6-10-4-5-13-9;;/h2-3,9-10H,4-6H2,1H3;2*1H
• InChIKey: JJJOSUUXFPPFHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylpyrimidin-4-yl)morpholine dihydrochloride
• IUPAC Traditional name: 2-(2-methylpyrimidin-4-yl)morpholine dihydrochloride
• Synonyms: 2-(2-Methyl-pyrimidin-4-yl)-morpholine dihydrochloride

Database IDs

• MDL Number: MFCD21605924
• PubChem SID: 162028073
• PubChem CID: 71298674

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.1110735
• LogD (pH = 7.4): -0.39769545
• Log P: 0.119978555
• Molar Refractivity: 48.8923 cm^3
• Polarizability: 19.158695 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false