6-chloro-2-N,2-N-dimethylpyrimidine-2,4-diamine

• ChemBase ID: 308161
• Molecular Formular: C6H9ClN4
• Molecular Mass: 172.61546
• Monoisotopic Mass: 172.05157399
• SMILES: c1(nc(cc(n1)Cl)N)N(C)C
• Canonical SMILES: Nc1cc(Cl)nc(n1)N(C)C
• InChI: InChI=1S/C6H9ClN4/c1-11(2)6-9-4(7)3-5(8)10-6/h3H,1-2H3,(H2,8,9,10)
• InChIKey: NMWKOBZHKWXQFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-N,2-N-dimethylpyrimidine-2,4-diamine
• IUPAC Traditional name: 6-chloro-2-N,2-N-dimethylpyrimidine-2,4-diamine
• Synonyms: 6-chloro-N~2~,N~2~-dimethyl-2,4-pyrimidinediamine

Database IDs

• CAS Number: 1075-39-4
• MDL Number: MFCD09864563

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3092237
• LogD (pH = 7.4): 1.4246246
• Log P: 1.4263188
• Molar Refractivity: 47.9769 cm^3
• Polarizability: 16.491484 Å^3
• Polar Surface Area: 55.04 Å^2