6-(methoxymethyl)pyrimidin-4-amine

• ChemBase ID: 240210
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: n1c(cc(nc1)COC)N
• Canonical SMILES: COCc1cc(N)ncn1
• InChI: InChI=1S/C6H9N3O/c1-10-3-5-2-6(7)9-4-8-5/h2,4H,3H2,1H3,(H2,7,8,9)
• InChIKey: ZEEJRACEEDQANN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(methoxymethyl)pyrimidin-4-amine
• IUPAC Traditional name: 6-(methoxymethyl)pyrimidin-4-amine
• Synonyms: 6-(methoxymethyl)pyrimidin-4-amine; 6-(methoxymethyl)-4-pyrimidinamine

Database IDs

• CAS Number: 302964-09-6
• MDL Number: MFCD16707665
• PubChem SID: 164296120
• PubChem CID: 21137644

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.24897704
• LogD (pH = 7.4): -0.22776179
• Log P: -0.22748435
• Molar Refractivity: 38.7811 cm^3
• Polarizability: 14.067785 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.526

Product Information

• Purity: 95%