2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethan-1-amine

• ChemBase ID: 803689
• Molecular Formular: C9H15N3O2
• Molecular Mass: 197.2343
• Monoisotopic Mass: 197.11642674
• SMILES: C(Cc1nc(ccn1)C(OC)OC)N
• Canonical SMILES: NCCc1nccc(n1)C(OC)OC
• InChI: InChI=1S/C9H15N3O2/c1-13-9(14-2)7-4-6-11-8(12-7)3-5-10/h4,6,9H,3,5,10H2,1-2H3
• InChIKey: BKQMVGNJLAMOIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethan-1-amine
• IUPAC Traditional name: 2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine
• Synonyms: 2-[4-(DIMETHOXYMETHYL)PYRIMIDIN-2-YL]ETHAN-1-AMINE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.0557277
• LogD (pH = 7.4): -1.8950028
• Log P: 0.074247874
• Molar Refractivity: 52.4003 cm^3
• Polarizability: 20.590334 Å^3
• Polar Surface Area: 70.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%