N,6-dimethylpyrimidin-4-amine

• ChemBase ID: 278520
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: n1c(cc(nc1)C)NC
• Canonical SMILES: CNc1ncnc(c1)C
• InChI: InChI=1S/C6H9N3/c1-5-3-6(7-2)9-4-8-5/h3-4H,1-2H3,(H,7,8,9)
• InChIKey: SMVSFAWGBMGRFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,6-dimethylpyrimidin-4-amine
• IUPAC Traditional name: N,6-dimethylpyrimidin-4-amine
• Synonyms: N,6-dimethylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD14601528
• PubChem SID: 164334430
• PubChem CID: 13302373

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.43769768
• LogD (pH = 7.4): 0.22684926
• Log P: 0.24834128
• Molar Refractivity: 37.8211 cm^3
• Polarizability: 13.278595 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.998

Product Information

• Purity: 95%