4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-2-amine

• ChemBase ID: 14002
• Molecular Formular: C10H13N5
• Molecular Mass: 203.24372
• Monoisotopic Mass: 203.11709544
• SMILES: n1(c2cc(nc(n2)N)C)nc(cc1C)C
• Canonical SMILES: Cc1nc(N)nc(c1)n1nc(cc1C)C
• InChI: InChI=1S/C10H13N5/c1-6-5-9(13-10(11)12-6)15-8(3)4-7(2)14-15/h4-5H,1-3H3,(H2,11,12,13)
• InChIKey: ZUMRLAHQBUJLIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01175033
• PubChem SID: 160977309
• PubChem CID: 742814

CALCULATED PROPERTIES

• Acid pKa: 16.750124
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.43222332
• LogD (pH = 7.4): 0.85394
• Log P: 1.0421733
• Molar Refractivity: 60.3766 cm^3
• Polarizability: 21.380688 Å^3
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false