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

• ChemBase ID: 803726
• Molecular Formular: C9H14N4O
• Molecular Mass: 194.23366
• Monoisotopic Mass: 194.11676109
• SMILES: C(N)c1ccnc(n1)N1CCOCC1
• Canonical SMILES: NCc1ccnc(n1)N1CCOCC1
• InChI: InChI=1S/C9H14N4O/c10-7-8-1-2-11-9(12-8)13-3-5-14-6-4-13/h1-2H,3-7,10H2
• InChIKey: DCXKBZUYPJJKCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholin-4-yl)pyrimidin-4-yl]methanamine
• IUPAC Traditional name: [2-(morpholin-4-yl)pyrimidin-4-yl]methanamine
• Synonyms: 1-(2-MORPHOLIN-4-YLPYRIMIDIN-4-YL)METHANAMINE

Database IDs

• CAS Number: 94694-45-8

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.8827612
• LogD (pH = 7.4): -1.2895584
• Log P: -0.17469479
• Molar Refractivity: 54.1226 cm^3
• Polarizability: 20.384943 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%