1-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1H-pyrazol-5-amine

• ChemBase ID: 235861
• Molecular Formular: C10H13N5
• Molecular Mass: 203.24372
• Monoisotopic Mass: 203.11709544
• SMILES: n1(c2nc(nc(c2)C)C)c(cc(n1)C)N
• Canonical SMILES: Cc1nc(C)nc(c1)n1nc(cc1N)C
• InChI: InChI=1S/C10H13N5/c1-6-5-10(13-8(3)12-6)15-9(11)4-7(2)14-15/h4-5H,11H2,1-3H3
• InChIKey: TVPSRLKEWQZEBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazol-3-amine
• Synonyms: 1-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1H-pyrazol-5-amine

Database IDs

• MDL Number: MFCD09262250
• PubChem SID: 164291771
• PubChem CID: 16642995

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.10793887
• LogD (pH = 7.4): 0.7516015
• Log P: 0.7711196
• Molar Refractivity: 59.1586 cm^3
• Polarizability: 21.378077 Å^3
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104 - 106°C
• Hydrophobicity(logP): 0.633

Product Information

• Purity: 95%