4-N,4-N-dimethylpyrimidine-2,4-diamine

• ChemBase ID: 277648
• Molecular Formular: C6H10N4
• Molecular Mass: 138.1704
• Monoisotopic Mass: 138.09054634
• SMILES: n1c(N(C)C)ccnc1N
• Canonical SMILES: Nc1nccc(n1)N(C)C
• InChI: InChI=1S/C6H10N4/c1-10(2)5-3-4-8-6(7)9-5/h3-4H,1-2H3,(H2,7,8,9)
• InChIKey: MYDKGRAWYIGOGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-N,4-N-dimethylpyrimidine-2,4-diamine
• IUPAC Traditional name: 4-N,4-N-dimethylpyrimidine-2,4-diamine
• Synonyms: 4-N,4-N-dimethylpyrimidine-2,4-diamine

Database IDs

• MDL Number: MFCD13188088
• PubChem SID: 164333558
• PubChem CID: 13125495

CALCULATED PROPERTIES

• Acid pKa: 16.840946
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.7305573
• LogD (pH = 7.4): 0.32907608
• Log P: 0.6020969
• Molar Refractivity: 42.1108 cm^3
• Polarizability: 14.504194 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157 - 159°C
• Hydrophobicity(logP): 0.582

Product Information

• Purity: 95%