4-N,4-N-dimethylpyrimidine-4,5-diamine

• ChemBase ID: 235604
• Molecular Formular: C6H10N4
• Molecular Mass: 138.1704
• Monoisotopic Mass: 138.09054634
• SMILES: c1(c(N)cncn1)N(C)C
• Canonical SMILES: CN(c1ncncc1N)C
• InChI: InChI=1S/C6H10N4/c1-10(2)6-5(7)3-8-4-9-6/h3-4H,7H2,1-2H3
• InChIKey: YOIVMQAJLCWUEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18819592
• PubChem SID: 164291514
• PubChem CID: 45080467

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.39189777
• LogD (pH = 7.4): -0.08269661
• Log P: -0.07668911
• Molar Refractivity: 42.1648 cm^3
• Polarizability: 14.506033 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 97 - 99°C
• Hydrophobicity(logP): 0.582

Product Information

• Purity: 95%