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

• ChemBase ID: 803676
• Molecular Formular: C8H13N3O2
• Molecular Mass: 183.20772
• Monoisotopic Mass: 183.10077667
• SMILES: C(N)c1nc(ccn1)C(OC)OC
• Canonical SMILES: COC(c1ccnc(n1)CN)OC
• InChI: InChI=1S/C8H13N3O2/c1-12-8(13-2)6-3-4-10-7(5-9)11-6/h3-4,8H,5,9H2,1-2H3
• InChIKey: YKZFFNAEMJCCCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(dimethoxymethyl)pyrimidin-2-yl]methanamine
• IUPAC Traditional name: [4-(dimethoxymethyl)pyrimidin-2-yl]methanamine
• Synonyms: 1-[4-(DIMETHOXYMETHYL)PYRIMIDIN-2-YL]METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.2776968
• LogD (pH = 7.4): -0.5914668
• Log P: -0.11653248
• Molar Refractivity: 47.7009 cm^3
• Polarizability: 18.829184 Å^3
• Polar Surface Area: 70.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%