N2,N4-dimethylpyrimidine-2,4-diamine

• ChemBase ID: 815566
• Molecular Formular: C6H10N4
• Molecular Mass: 138.1704
• Monoisotopic Mass: 138.09054634
• SMILES: c1c(nc(nc1)NC)NC
• Canonical SMILES: CNc1ccnc(n1)NC
• InChI: InChI=1S/C6H10N4/c1-7-5-3-4-9-6(8-2)10-5/h3-4H,1-2H3,(H2,7,8,9,10)
• InChIKey: QGHXLJPQRACLPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2,N4-dimethylpyrimidine-2,4-diamine
• IUPAC Traditional name: N2,N4-dimethylpyrimidine-2,4-diamine
• Synonyms: N2,N4-dimethylpyrimidine-2,4-diamine

Database IDs

• CAS Number: 856289-68-4

CALCULATED PROPERTIES

• Acid pKa: 16.83728
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.0437448
• LogD (pH = 7.4): 0.02630958
• Log P: 0.26853526
• Molar Refractivity: 43.3694 cm^3
• Polarizability: 14.504274 Å^3
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%