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

• ChemBase ID: 117959
• Molecular Formular: C10H13N5
• Molecular Mass: 203.24372
• Monoisotopic Mass: 203.11709544
• SMILES: n1(c2nc(cc(n2)C)C)c(cc(n1)C)N
• Canonical SMILES: Cc1cc(C)nc(n1)n1nc(cc1N)C
• InChI: InChI=1S/C10H13N5/c1-6-4-7(2)13-10(12-6)15-9(11)5-8(3)14-15/h4-5H,11H2,1-3H3
• InChIKey: DOJFXLDIDRNTEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03479906
• PubChem SID: 162090067
• PubChem CID: 2356866

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.46378443
• LogD (pH = 7.4): 0.46875185
• Log P: 0.46881554
• Molar Refractivity: 58.7582 cm^3
• Polarizability: 21.387342 Å^3
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 173 - 175°C
• Partition Coefficient: 0.50306
• Hydrophobicity(logP): 1.133

Product Information

• Purity: 95%; 95+%