(4-methoxy-6-methylpyrimidin-2-yl)methanamine

• ChemBase ID: 803830
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: C(N)c1nc(cc(n1)C)OC
• Canonical SMILES: COc1cc(C)nc(n1)CN
• InChI: InChI=1S/C7H11N3O/c1-5-3-7(11-2)10-6(4-8)9-5/h3H,4,8H2,1-2H3
• InChIKey: NXNWUWSHZNLQFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxy-6-methylpyrimidin-2-yl)methanamine
• IUPAC Traditional name: (4-methoxy-6-methylpyrimidin-2-yl)methanamine
• Synonyms: (4-METHOXY-6-METHYLPYRIMIDIN-2-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8851227
• LogD (pH = 7.4): -0.1988192
• Log P: 0.2762484
• Molar Refractivity: 42.0746 cm^3
• Polarizability: 16.194305 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%