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

• ChemBase ID: 803690
• Molecular Formular: C8H12N2O3
• Molecular Mass: 184.19248
• Monoisotopic Mass: 184.08479225
• SMILES: C(O)c1nc(ccn1)C(OC)OC
• Canonical SMILES: COC(c1ccnc(n1)CO)OC
• InChI: InChI=1S/C8H12N2O3/c1-12-8(13-2)6-3-4-9-7(5-11)10-6/h3-4,8,11H,5H2,1-2H3
• InChIKey: ADUDSOKKWDPREJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(dimethoxymethyl)pyrimidin-2-yl]methanol
• IUPAC Traditional name: [4-(dimethoxymethyl)pyrimidin-2-yl]methanol
• Synonyms: [4-(DIMETHOXYMETHYL)PYRIMIDIN-2-YL]METHANOL

Database IDs

• CAS Number: 944900-71-4

CALCULATED PROPERTIES

• Acid pKa: 13.509426
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.009494717
• LogD (pH = 7.4): -0.009488701
• Log P: -0.009488283
• Molar Refractivity: 46.0434 cm^3
• Polarizability: 17.963549 Å^3
• Polar Surface Area: 64.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%