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

• ChemBase ID: 101510
• Molecular Formular: C9H14N4O
• Molecular Mass: 194.23366
• Monoisotopic Mass: 194.11676109
• SMILES: c1(ncc(cn1)CN)N1CCOCC1
• Canonical SMILES: NCc1cnc(nc1)N1CCOCC1
• InChI: InChI=1S/C9H14N4O/c10-5-8-6-11-9(12-7-8)13-1-3-14-4-2-13/h6-7H,1-5,10H2
• InChIKey: ZRVZFCDHVHWOIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 944899-76-7
• MDL Number: MFCD10696914
• PubChem SID: 162088598
• PubChem CID: 42556097

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.1554077
• LogD (pH = 7.4): -1.8276248
• Log P: -0.25616667
• Molar Refractivity: 54.6448 cm^3
• Polarizability: 20.38446 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.163

Product Information

• Purity: 95%; 98%