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

• ChemBase ID: 277652
• Molecular Formular: C6H10N4
• Molecular Mass: 138.1704
• Monoisotopic Mass: 138.09054634
• SMILES: n1c(nccc1N)N(C)C
• Canonical SMILES: CN(c1nccc(n1)N)C
• InChI: InChI=1S/C6H10N4/c1-10(2)6-8-4-3-5(7)9-6/h3-4H,1-2H3,(H2,7,8,9)
• InChIKey: HFILKPNHATWAFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16103668
• PubChem SID: 164333562
• PubChem CID: 45080527

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.68761474
• LogD (pH = 7.4): 0.38794982
• Log P: 0.6020969
• Molar Refractivity: 42.1108 cm^3
• Polarizability: 14.504357 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): -1.764

Product Information

• Purity: 95%