4-(dimethoxymethyl)-2-methoxypyrimidine

• ChemBase ID: 293348
• Molecular Formular: C8H12N2O3
• Molecular Mass: 184.19248
• Monoisotopic Mass: 184.08479225
• SMILES: COc1nccc(C(OC)OC)n1
• Canonical SMILES: COc1nccc(n1)C(OC)OC
• InChI: InChI=1S/C8H12N2O3/c1-11-7(12-2)6-4-5-9-8(10-6)13-3/h4-5,7H,1-3H3
• InChIKey: GEIHKDMHTFBNOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(dimethoxymethyl)-2-methoxypyrimidine
• IUPAC Traditional name: 4-(dimethoxymethyl)-2-methoxypyrimidine
• Synonyms: 4-(Dimethoxymethyl)-2-methoxypyrimidine

Database IDs

• CAS Number: 193746-84-8
• PubChem SID: 180678879
• PubChem CID: 21190776

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.8824818
• LogD (pH = 7.4): 0.8824856
• Log P: 0.8824856
• Molar Refractivity: 46.126 cm^3
• Polarizability: 18.028273 Å^3
• Polar Surface Area: 53.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%