6-methoxy-4-N,4-N-dimethylpyrimidine-4,5-diamine

• ChemBase ID: 236530
• Molecular Formular: C7H12N4O
• Molecular Mass: 168.19638
• Monoisotopic Mass: 168.10111102
• SMILES: c1(c(ncnc1OC)N(C)C)N
• Canonical SMILES: COc1ncnc(c1N)N(C)C
• InChI: InChI=1S/C7H12N4O/c1-11(2)6-5(8)7(12-3)10-4-9-6/h4H,8H2,1-3H3
• InChIKey: NWBQVGDVWUAKGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-4-N,4-N-dimethylpyrimidine-4,5-diamine
• IUPAC Traditional name: 6-methoxy-4-N,4-N-dimethylpyrimidine-4,5-diamine
• Synonyms: 6-methoxy-4-N,4-N-dimethylpyrimidine-4,5-diamine

Database IDs

• MDL Number: MFCD20694528
• PubChem SID: 164292440
• PubChem CID: 10419563

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.27086407
• LogD (pH = 7.4): 0.35884887
• Log P: 0.36009717
• Molar Refractivity: 48.9415 cm^3
• Polarizability: 17.05097 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69 - 71°C
• Hydrophobicity(logP): 1.535

Product Information

• Purity: 95%