4-(dimethoxymethyl)pyrimidine

• ChemBase ID: 253822
• Molecular Formular: C7H10N2O2
• Molecular Mass: 154.1665
• Monoisotopic Mass: 154.07422757
• SMILES: n1c(C(OC)OC)ccnc1
• Canonical SMILES: COC(c1ccncn1)OC
• InChI: InChI=1S/C7H10N2O2/c1-10-7(11-2)6-3-4-8-5-9-6/h3-5,7H,1-2H3
• InChIKey: QZBWJPFALVAAPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(dimethoxymethyl)pyrimidine
• IUPAC Traditional name: 4-(dimethoxymethyl)pyrimidine
• Synonyms: 4-(dimethoxymethyl)pyrimidine; 4-Dimethoxymethylpyrimidine

Database IDs

• CAS Number: 25746-87-6
• MDL Number: MFCD06738842
• PubChem SID: 164309732
• PubChem CID: 12440240

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.36135408
• LogD (pH = 7.4): 0.36137068
• Log P: 0.3613709
• Molar Refractivity: 39.7168 cm^3
• Polarizability: 15.4705715 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.806

Product Information

• Purity: 95%; 95+%; 98%