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

• ChemBase ID: 241055
• Molecular Formular: C9H11N5
• Molecular Mass: 189.21714
• Monoisotopic Mass: 189.10144538
• SMILES: n1(c2nc(cc(n2)C)C)c(ccn1)N
• Canonical SMILES: Cc1cc(C)nc(n1)n1nccc1N
• InChI: InChI=1S/C9H11N5/c1-6-5-7(2)13-9(12-6)14-8(10)3-4-11-14/h3-5H,10H2,1-2H3
• InChIKey: ADTCQYGRFJTRLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11641434
• PubChem SID: 164296965
• PubChem CID: 43316767

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.33674183
• LogD (pH = 7.4): 0.33743653
• Log P: 0.33744538
• Molar Refractivity: 54.1667 cm^3
• Polarizability: 19.629162 Å^3
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 185°C
• Hydrophobicity(logP): 0.364

Product Information

• Purity: 95%