2-N,2-N-dimethylpyrimidine-2,5-diamine

• ChemBase ID: 242494
• Molecular Formular: C6H10N4
• Molecular Mass: 138.1704
• Monoisotopic Mass: 138.09054634
• SMILES: c1(ncc(cn1)N)N(C)C
• Canonical SMILES: CN(c1ncc(cn1)N)C
• InChI: InChI=1S/C6H10N4/c1-10(2)6-8-3-5(7)4-9-6/h3-4H,7H2,1-2H3
• InChIKey: YQARTUVKLFSLJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N-dimethylpyrimidine-2,5-diamine
• IUPAC Traditional name: 2-N,2-N-dimethylpyrimidine-2,5-diamine
• Synonyms: 2-N,2-N-dimethylpyrimidine-2,5-diamine; N2,N2-Dimethylpyrimidine-2,5-diamine

Database IDs

• CAS Number: 56621-99-9
• MDL Number: MFCD11656641
• PubChem SID: 164298404
• PubChem CID: 12215998

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.0029179745
• LogD (pH = 7.4): 0.007579601
• Log P: 0.0076393825
• Molar Refractivity: 41.7973 cm^3
• Polarizability: 14.508839 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78 - 80°C
• Hydrophobicity(logP): 0.582

Product Information

• Purity: 95%; 95+%