4-(dimethoxymethyl)-N-methylpyrimidin-2-amine

• ChemBase ID: 294584
• Molecular Formular: C8H13N3O2
• Molecular Mass: 183.20772
• Monoisotopic Mass: 183.10077667
• SMILES: CNc1nccc(C(OC)OC)n1
• Canonical SMILES: COC(c1ccnc(n1)NC)OC
• InChI: InChI=1S/C8H13N3O2/c1-9-8-10-5-4-6(11-8)7(12-2)13-3/h4-5,7H,1-3H3,(H,9,10,11)
• InChIKey: GVTZVNRRGNBOJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(dimethoxymethyl)-N-methylpyrimidin-2-amine
• IUPAC Traditional name: 4-(dimethoxymethyl)-N-methylpyrimidin-2-amine
• Synonyms: 2-(Methylamino)pyrimidine-4-carboxaldehyde dimethyl acetal

Database IDs

• CAS Number: 180869-38-9
• PubChem SID: 180680115
• PubChem CID: 17840014

CALCULATED PROPERTIES

• Acid pKa: 16.302649
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.5117915
• LogD (pH = 7.4): 0.5129206
• Log P: 0.51293504
• Molar Refractivity: 49.8566 cm^3
• Polarizability: 18.459967 Å^3
• Polar Surface Area: 56.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%