2-methyl-4-(1-methyl-1H-pyrazol-4-yl)pyrimidine

• ChemBase ID: 244199
• Molecular Formular: C9H10N4
• Molecular Mass: 174.2025
• Monoisotopic Mass: 174.09054634
• SMILES: c1(cn(nc1)C)c1nc(ncc1)C
• Canonical SMILES: Cn1ncc(c1)c1ccnc(n1)C
• InChI: InChI=1S/C9H10N4/c1-7-10-4-3-9(12-7)8-5-11-13(2)6-8/h3-6H,1-2H3
• InChIKey: DEXBJPIWMLFKFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-(1-methyl-1H-pyrazol-4-yl)pyrimidine
• IUPAC Traditional name: 2-methyl-4-(1-methylpyrazol-4-yl)pyrimidine
• Synonyms: 2-methyl-4-(1-methyl-1H-pyrazol-4-yl)pyrimidine

Database IDs

• MDL Number: MFCD23144001
• PubChem SID: 164300109
• PubChem CID: 71757449

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9410862
• LogD (pH = 7.4): 0.9415116
• Log P: 0.941517
• Molar Refractivity: 61.0143 cm^3
• Polarizability: 19.835352 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.493

Product Information

• Purity: 95%