4-methoxy-N,N-dimethylpyrimidin-2-amine

• ChemBase ID: 254339
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: n1c(nccc1OC)N(C)C
• Canonical SMILES: COc1ccnc(n1)N(C)C
• InChI: InChI=1S/C7H11N3O/c1-10(2)7-8-5-4-6(9-7)11-3/h4-5H,1-3H3
• InChIKey: FKMDHVOHDANIDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N,N-dimethylpyrimidin-2-amine
• IUPAC Traditional name: 4-methoxy-N,N-dimethylpyrimidin-2-amine
• Synonyms: 4-methoxy-N,N-dimethylpyrimidin-2-amine

Database IDs

• MDL Number: MFCD09802141
• PubChem SID: 164310249
• PubChem CID: 12229622

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2151484
• LogD (pH = 7.4): 1.2725643
• Log P: 1.2733516
• Molar Refractivity: 43.8736 cm^3
• Polarizability: 15.895312 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.54

Product Information

• Purity: 95%