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

• ChemBase ID: 244352
• Molecular Formular: C10H13N5
• Molecular Mass: 203.24372
• Monoisotopic Mass: 203.11709544
• SMILES: n1(c2nc(cc(n2)C)C)nc(cc1C)N
• Canonical SMILES: Nc1nn(c(c1)C)c1nc(C)cc(n1)C
• InChI: InChI=1S/C10H13N5/c1-6-4-7(2)13-10(12-6)15-8(3)5-9(11)14-15/h4-5H,1-3H3,(H2,11,14)
• InChIKey: KNAYSOLLOXMFBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16845337
• PubChem SID: 164300262
• PubChem CID: 62678494

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0391837
• LogD (pH = 7.4): 1.0421355
• Log P: 1.0421733
• Molar Refractivity: 60.3766 cm^3
• Polarizability: 21.38357 Å^3
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134 - 136°C
• Hydrophobicity(logP): 0.633

Product Information

• Purity: 95%